SCHEMBL9206329

SCHEMBL9206329

CC(C)(C)c1ccccc1-c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
ALOX5 P09917 3/20 0.41
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CA2 P00918 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 3/20 0.38
ATM Q13315 1/20 0.38
LTK P29376 1/20 0.38
CDK5 Q00535 1/20 0.38
MST1R Q04912 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL10921471 0.80 ALDH1A1 (0.49) LTA4HALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL7999310 0.78 MAOA (0.46) LTA4HALOX5PTGS1PTGS2ALDH1A1
SCHEMBL995326 0.78 LTA4H (0.55) LTA4HALDH1A1KDM4EMAPTMAPK1
SCHEMBL26259923 0.77 NPC1 (0.42) LTA4HALOX5PTGS1PTGS2ALDH1A1
SCHEMBL26259521 0.75 ACHE (0.41) LTA4HALOX5PTGS1PTGS2ALDH1A1
Hydrogen Sulfide SCHEMBL752785 0.75 LTA4H (0.53) LTA4HALDH1A1KDM4EMAPTMAPK1
SCHEMBL1194484 0.75 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL27961856 0.74 LTA4H (0.42) LTA4HALDH1A1KDM4EMAPTMAPK1
SCHEMBL26259657 0.74 ACHE (0.37) LTA4HALOX5PTGS1PTGS2ALDH1A1
Phosphine SCHEMBL2238711 0.73 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127642-A1 SELECTIVE VALORIZATION OF BIOMASS SUGARS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-24 WO claimed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11618763-B2 Selective valorization of biomass sugars MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-04-04 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
US-20210188890-A1 SELECTIVE VALORIZATION OF BIOMASS SUGARS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2021-06-24 US disclosed
WO-2021127642-A1 SELECTIVE VALORIZATION OF BIOMASS SUGARS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-24 WO disclosed
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
EP-0462812-B1 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-12-06 EP disclosed
EP-0409413-B1 Diaryl ether heterocycles ICI PLC (GB) 1994-08-03 EP disclosed
EP-0409412-B1 Diaryl ether cyclic ethers ICI PLC (GB) 1994-07-20 EP disclosed
EP-0462812-A2 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed
EP-0409413-A2 Diaryl ether heterocycles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP disclosed
EP-0409412-A2 Diaryl ether cyclic ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 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 (9 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-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 LTA4H 3392/4885ALOX5 3613/4885PTGS1 3961/4885
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP LTA4H 1308/4885ALOX5 3052/4885PTGS1 2472/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 LTA4H 3392/4885ALOX5 3613/4885PTGS1 3961/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 LTA4H 2778/4885ALOX5 3023/4885PTGS1 1276/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 LTA4H 2778/4885ALOX5 3023/4885PTGS1 1276/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 LTA4H 2778/4885ALOX5 3023/4885PTGS1 1276/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 LTA4H 2778/4885ALOX5 3023/4885PTGS1 1276/4885
US-11618763-B2 Selective valorization of biomass sugars GALE, FBP1, GNE LTA4H 1208/4885ALOX5 2128/4885PTGS1 3711/4885
US-20210188890-A1 SELECTIVE VALORIZATION OF BIOMASS SUGARS GALE, FBP1, GNE LTA4H 1208/4885ALOX5 2128/4885PTGS1 3711/4885

“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.