SCHEMBL4883938

SCHEMBL4883938

COCCOc1cc2cc(C(=O)O)[nH]c2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.43
SRD5A1 P18405 1/20 0.43
PIN1 Q13526 1/20 0.42
GPR35 Q9HC97 1/20 0.42
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
SMAD3 P84022 1/20 0.40
LMNA P02545 2/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
PDPK1 O15530 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2580969 0.85 KDM4E (0.52) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL31733036 0.84 PIN1 (0.51) SRD5A2SRD5A1PIN1GPR35KDM4E
SCHEMBL2320949 0.84 PIN1 (0.51) SRD5A2SRD5A1PIN1GPR35KDM4E
SCHEMBL4816031 0.77 KDM4E (0.64) SRD5A2PIN1KDM4EHPGDALDH1A1
SCHEMBL6268309 0.76 GABRA1 (0.35) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL5268277 0.74 FLT3 (0.53) SRD5A2SRD5A1KDM4EHPGDALDH1A1
SCHEMBL17775023 0.74 KDM4E (0.60) SRD5A2PIN1KDM4EHPGDALDH1A1
SCHEMBL17775018 0.74 KDM4E (0.60) SRD5A2PIN1KDM4EHPGDALDH1A1
SCHEMBL17775019 0.74 KDM4E (0.60) SRD5A2PIN1KDM4EHPGDALDH1A1
SCHEMBL17775016 0.74 KDM4E (0.60) SRD5A2PIN1KDM4EHPGDALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280946-A1 Azaindole-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-13 US disclosed
CN-100398105-C 1,3-substitued cycloalkyl derivatives having acidic, mostly heterocyclic groups, processes for their preparation and their use as pharmaceuticals SANNOFFE AVENTIS PHARMA GMBH (DE) 2008-07-02 CN disclosed
US-7317027-B2 1-substituted 2-carboxamide derivatives of fused ring pyrroles, especially pyrrolo[2,3-b]pyridines and pyrrolo[3,2-b]pyridines, e.g., 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
CN-1753671-A 1,3-substitued cycloalkyl derivatives having acidic, mostly heterocyclic groups, processes for their preparation and their use as pharmaceuticals SANNOFFE AVENTIS PHARMA GMBH (DE) 2006-03-29 CN disclosed
EP-1636226-A1 AZAINDOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
US-20050009828-A1 Azaindole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND (DE) 2005-01-13 US disclosed
WO-2004101563-A1 AZAINDOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO 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 (2 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-20050009828-A1 Azaindole-derivatives as factor Xa inhibitors F12, F5, F11 SRD5A2 1419/4885SRD5A1 1490/4885PIN1 3239/4885
US-20080280946-A1 Azaindole-Derivatives As Factor Xa Inhibitors F12, F5, F11 SRD5A2 1354/4885SRD5A1 1304/4885PIN1 2277/4885

“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.