SCHEMBL989468

SCHEMBL989468

Cc1ccc2c(c1)-c1sc(C(=O)O)cc1CO2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.72
KDM4E B2RXH2 5/20 0.69
ALDH1A1 P00352 5/20 0.69
GAA P10253 4/20 0.69
HPGD P15428 3/20 0.69
MAPK1 P28482 2/20 0.69
HSD17B10 Q99714 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.60
GLA P06280 1/20 0.56
TSHR P16473 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
ATM Q13315 1/20 0.56
TP53 P04637 2/20 0.55
MAPT P10636 2/20 0.55
POLB P06746 1/20 0.51
THRB P10828 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PIK3CA P42336 2/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL12536026 0.84 NOTUM (0.72) NOTUMKDM4EALDH1A1GAAHPGD
SCHEMBL990133 0.84 NOTUM (1.00) NOTUMKDM4EALDH1A1GAAHPGD
SCHEMBL20597550 0.84 NOTUM (1.00) NOTUMKDM4EALDH1A1GAAHPGD
SCHEMBL20597025 0.83 NOTUM (0.64) NOTUMKDM4EALDH1A1GAAHPGD
SCHEMBL20597217 0.83 NOTUM (0.67) NOTUMKDM4EALDH1A1GAAHPGD
SCHEMBL20597270 0.83 NOTUM (0.67) NOTUMKDM4EALDH1A1GAAHPGD
SCHEMBL987936 0.82 ALDH1A1 (1.00) NOTUMKDM4EALDH1A1GAAHPGD
SCHEMBL20597589 0.81 NOTUM (0.67) NOTUMKDM4EALDH1A1GAAHPGD
SCHEMBL20597319 0.80 NOTUM (0.66) NOTUMKDM4EALDH1A1GAAHPGD
SCHEMBL20597065 0.79 NOTUM (0.73) NOTUMKDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PSOMAGEN, INC. (US) 2022-08-23 US claimed
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MACROGEN INC. (KR) 2021-05-06 US claimed
EP-3668494-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE Psomagen, Inc. (US) 2020-06-24 EP claimed
CN-111163761-A Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide 普梭梅根公司 2020-05-15 CN claimed
WO-2019036507-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE uBiome, Inc. (US) 2019-02-21 WO claimed
US-20190050525-A1 RIESKE-TYPE OXYGENASE/REDUCTASE TARGETED DRUGS FOR DIAGNOSTIC AND TREATMENT OF DISEASES PSOMAGEN, INC. 2019-02-14 US claimed
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PSOMAGEN, INC. (US) 2022-08-23 US disclosed
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MACROGEN INC. (KR) 2021-05-06 US disclosed
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MACROGEN INC. (KR) 2021-05-06 US disclosed
EP-3668494-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE Psomagen, Inc. (US) 2020-06-24 EP disclosed
CN-111163761-A Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide 普梭梅根公司 2020-05-15 CN disclosed
WO-2019036507-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE uBiome, Inc. (US) 2019-02-21 WO disclosed
US-20190050525-A1 RIESKE-TYPE OXYGENASE/REDUCTASE TARGETED DRUGS FOR DIAGNOSTIC AND TREATMENT OF DISEASES PSOMAGEN, INC. 2019-02-14 US disclosed
US-7928248-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2011-04-19 US disclosed
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP disclosed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-01 US disclosed
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-01 US disclosed
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-01 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 (3 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-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PNMT, MAOA, HNMT NOTUM 673/4885KDM4E 733/4885ALDH1A1 988/4885
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MAOA, PNMT, HNMT NOTUM 177/4885KDM4E 1224/4885ALDH1A1 959/4885
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD NOTUM 1486/4885KDM4E 3381/4885ALDH1A1 4004/4885

“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.