SCHEMBL2633504

SCHEMBL2633504

CCC(C)c1ccc2c(c1)OCCO2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
AOC3 Q16853 1/20 0.51
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 1/20 0.45
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM1A O60341 3/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14270575 1.00 PTGS1 (0.56) PTGS1PTGS2AOC3GAAHPGD
SCHEMBL12561980 1.00 PTGS1 (0.56) PTGS1PTGS2AOC3GAAHPGD
SCHEMBL8209755 0.93 PTGS1 (0.49) PTGS1PTGS2AOC3GAAHPGD
SCHEMBL2618697 0.89 CYP2D6 (0.53) SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL18910395 0.86 PTGS1 (0.53) PTGS1PTGS2AOC3GAAHPGD
SCHEMBL16477749 0.83 PTGS1 (0.53) PTGS1PTGS2AOC3GAAHPGD
SCHEMBL19122234 0.81 PTGS1 (0.39) PTGS1PTGS2AOC3GAAHPGD
SCHEMBL14311753 0.81 OGA (0.44) GAAHPGDALDH1A1USP2PKM
SCHEMBL13814476 0.81 HDAC3 (0.50) GAAHPGDALDH1A1KDM4EUSP2
SCHEMBL13369290 0.80 PTGS1 (0.38) PTGS1PTGS2AOC3GAAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230137956-A1 ALPHA SUBSTITUTED STAT INHIBITORS AND COMPOSITIONS THEREOF OXFORD FINANCE LLC 2023-05-04 US disclosed
US-11596631-B2 CDK12 inhibitors and their uses THE UNIVERSITY OF NOTTINGHAM (GB) 2023-03-07 US disclosed
US-11174242-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2021-11-16 US disclosed
US-11014941-B2 Pyrrolopyrimidine derivatives useful as inhibitors of influenza virus replication COCRYSTAL PHARMA, INC. (US) 2021-05-25 US disclosed
EP-2942346-B1 PYRIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS INC (US) 2020-05-06 EP disclosed
US-10639345-B2 Compositions for preserving photoreceptor cells, retinal pigment epithelial cells, or visual function MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2020-05-05 US disclosed
US-20200123177-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. 2020-04-23 US disclosed
US-20190216881-A1 METHODS AND COMPOSITIONS FOR PRESERVING PHOTORECEPTOR AND RETINAL PIGMENT EPITHELIAL CELLS MASSACHUSETTS EYE AND EAR INFIRMARY 2019-07-18 US disclosed
US-10323018-B2 Quinazoline and quinoline compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-06-18 US disclosed
US-20190119265-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIVERSITAT BERN (CH) 2019-04-25 US disclosed
US-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170136019-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
US-20170100400-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2017-04-13 US disclosed
EP-2588465-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2017-01-25 EP disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
US-20110136749-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS SATORI PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 US disclosed
US-20100190783-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2010-07-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110136749-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS CLN6, NLN, ACHE PTGS1 1107/4885PTGS2 1005/4885AOC3 449/4885
US-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof FXR1, SLC10A1, NR1H4 PTGS1 768/4885PTGS2 1065/4885AOC3 2172/4885
US-20100190783-A1 TRIAZOLONE DERIVATIVES H1-0, H1-10, H1-2 PTGS1 3169/4885PTGS2 3741/4885AOC3 2425/4885
US-11014941-B2 Pyrrolopyrimidine derivatives useful as inhibitors of influenza virus replication ITPA, POLR2H, POLR2E PTGS1 442/4885PTGS2 739/4885AOC3 3034/4885
US-11596631-B2 CDK12 inhibitors and their uses CDK12, CDK1, CDK17 PTGS1 4250/4885PTGS2 3488/4885AOC3 4569/4885
US-20190216881-A1 METHODS AND COMPOSITIONS FOR PRESERVING PHOTORECEPTOR AND RETINAL PIGMENT EPITHELIAL CELLS ALDH1A2, PDE6B, PDE6C PTGS1 422/4885PTGS2 550/4885AOC3 2291/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 PTGS1 3043/4885PTGS2 3675/4885AOC3 2345/4885
US-10323018-B2 Quinazoline and quinoline compounds and uses thereof NAMPT, NQO2, NNMT PTGS1 1895/4885PTGS2 2176/4885AOC3 2939/4885
US-20190119265-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION GRIN2B, IL1B, GRIA4 PTGS1 343/4885PTGS2 553/4885AOC3 673/4885
US-20230137956-A1 ALPHA SUBSTITUTED STAT INHIBITORS AND COMPOSITIONS THEREOF STAT5A, STAT5B, STAT3 PTGS1 1743/4885PTGS2 2574/4885AOC3 4805/4885
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 PTGS1 3609/4885PTGS2 3721/4885AOC3 60/4885
US-20170136019-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 PTGS1 13/4885PTGS2 20/4885AOC3 1882/4885
US-11174242-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA PTGS1 4407/4885PTGS2 4366/4885AOC3 355/4885
US-20200123177-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF INFLUENZA VIRUS REPLICATION ITPA, POLR2H, POLR2E PTGS1 442/4885PTGS2 739/4885AOC3 3034/4885
US-20170100400-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 PTGS1 911/4885PTGS2 1857/4885AOC3 3543/4885
US-10639345-B2 Compositions for preserving photoreceptor cells, retinal pigment epithelial cells, or visual function ALDH1A2, PDE6B, PDE6A PTGS1 524/4885PTGS2 781/4885AOC3 3006/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.