SCHEMBL5116479

SCHEMBL5116479

O=COCc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
RXRA P19793 7/20 0.50
RXRB P28702 6/20 0.50
NR4A2 P43354 4/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
RXRG P48443 1/20 0.47
HPGD P15428 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL11392894 0.82 CA2 (0.39) TSHRCA12CA1CA2CA9
SCHEMBL7129810 0.82 ALDH1A1 (0.50) ALDH1A1RXRARXRBNR4A2NPC1
SCHEMBL12384217 0.80 CA2 (0.57) ALDH1A1RXRARXRBPOLBTSHR
SCHEMBL29210313 0.79 HDAC6 (0.55) CA1CA2
SCHEMBL121593 0.79 LOXL2 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL9710253 0.79 KMT2A (0.69) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL9439348 0.79 ALDH1A1 (0.69) ALDH1A1RXRARXRBNR4A2NPC1
SCHEMBL437438 0.79 IDO1 (0.50) CA2
SCHEMBL7276079 0.78 FOLH1 (0.56) NR4A2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL16599181 0.78 TSHR (0.52) ALDH1A1RAB9ASMN1; SMN2TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029997-B2 Compositions and methods for treating cancers CEDARS-SINAI MEDICAL CENTER (US) 2018-07-24 US disclosed
US-20180170951-A1 AMIDE-LINKED EP4 AGONIST-BISPHOSPHONATE COMPOUNDS AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2018-06-21 US disclosed
US-20170121297-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS CEDARS-SINAI MEDICAL CENTER (US) 2017-05-04 US disclosed
US-7706658-B2 Copolymer and polymerizable composition FUJIFILM CORPORATION (JP) 2010-04-27 US disclosed
US-20090116808-A1 COPOLYMER AND POLYMERIZABLE COMPOSITION FUJIFILM CORPORATION (JP) 2009-05-07 US disclosed
US-20080139576-A1 5-Substituted 1,1-Dioxo- 1,2,5- Thiadiazolidin-3-One Derivatives NOVARTIS AG (CH) 2008-06-12 US disclosed
US-7291635-B2 5-substituted 1,1-dioxo-1,2,5,-thiadiazolidin-3-one derivatives NOVARTIS AG (CH) 2007-11-06 US disclosed
WO-2007004743-A1 COPOLYMER AND POLYMERIZABLE COMPOSITION FUJIFILM CORPORATION (JP) 2007-01-11 WO disclosed
EP-1256575-B1 PHENOXYALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA (JP) 2005-08-17 EP disclosed
EP-1560810-A1 BIFUNCTIONAL PHENYLISO(THIO)CYANATES; METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-08-10 EP disclosed
WO-1999007702-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1999-02-18 WO disclosed
WO-1998054139-A1 METHOD FOR PRODUCING SUBSTITUTED THIOPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1998-12-03 WO disclosed
WO-1998038169-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-09-03 WO disclosed
WO-1998011072-A1 SUBSTITUTED THIOPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1998-03-19 WO disclosed
WO-1998007700-A1 SUBSTITUTED 2-PHENYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
WO-1998007720-A1 SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
WO-1998005649-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-02-12 WO disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP 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 (4 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-20180170951-A1 AMIDE-LINKED EP4 AGONIST-BISPHOSPHONATE COMPOUNDS AND USES THEREOF PTGER4, ENPP2, PTGER3 ALDH1A1 2130/4885RXRA 868/4885RXRB 807/4885
US-20170121297-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS GSK3B, HDAC1, HDAC3 ALDH1A1 766/4885RXRA 2521/4885RXRB 2426/4885
US-20080139576-A1 5-Substituted 1,1-Dioxo- 1,2,5- Thiadiazolidin-3-One Derivatives PTPRS, PTPRJ, IRS1 ALDH1A1 2368/4885RXRA 3945/4885RXRB 3546/4885
US-10029997-B2 Compositions and methods for treating cancers HDAC3, HDAC1, GSK3B ALDH1A1 907/4885RXRA 2518/4885RXRB 2208/4885

“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.