SCHEMBL3240597

SCHEMBL3240597

COC(=O)c1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.59
PIN1 Q13526 1/20 0.59
SMAD3 P84022 1/20 0.57
KDM4E B2RXH2 4/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 4/20 0.55
ALDH1A1 P00352 3/20 0.55
TSHR P16473 2/20 0.55
F7 P08709 1/20 0.55
F3 P13726 1/20 0.55
PDPK1 O15530 1/20 0.55
LMNA P02545 1/20 0.55
NFKB1 P19838 1/20 0.55
APEX1 P27695 1/20 0.55
CYP2C19 P33261 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
XDH P47989 2/20 0.55
KMT2A Q03164 2/20 0.52
SRD5A2 P31213 2/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL30694751 0.90 XDH (0.61) HRH3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL18814268 0.88 HRH3 (0.72) HRH3PIN1SMAD3KDM4EHPGD
SCHEMBL28415588 0.88 EIF4A3 (0.55) HRH3PIN1SMAD3KDM4EHPGD
SCHEMBL13386801 0.86 MMP2 (0.60) HRH3KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL3960955 0.84 KDM4E (0.57) HRH3PIN1SMAD3KDM4EHPGD
SCHEMBL6376731 0.84 HRH3 (0.56) HRH3PIN1SMAD3KDM4EHPGD
SCHEMBL6518479 0.84 HRH3 (0.80) HRH3PIN1SMAD3KDM4EHPGD
SCHEMBL1842307 0.83 SMAD3 (0.68) HRH3PIN1SMAD3KDM4EHPGD
SCHEMBL29415437 0.83 SMAD3 (0.68) HRH3PIN1SMAD3KDM4EHPGD
SCHEMBL3246114 0.82 HRH3 (0.51) HRH3KDM4EHPGDHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240175141-A1 BIOBASED AND BIODEGRADABLE CORROSION INHIBITION COMPOSITION ZestBio, Inc. 2024-05-30 US disclosed
WO-2024081967-A2 BIOBASED AND BIODEGRADABLE CORROSION INHIBITION COMPOSITION ZestBio, Inc. (US) 2024-04-18 WO disclosed
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2024-01-18 US disclosed
US-11787783-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-10-17 US disclosed
US-11787783-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-10-17 US disclosed
US-11787783-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-10-17 US disclosed
CN-116057049-A Carboxamide derivatives and pharmaceutical composition for preventing or treating mental diseases containing the same as active ingredient 大邱庆北尖端医疗产业振兴财团 2023-05-02 CN disclosed
WO-2023275357-A1 CASPASE-2 INHIBITOR COMPOUNDS Kintsugi Therapeutics S.L. (ES) 2023-01-05 WO disclosed
EP-4112631-A1 CASPASE-2 INHIBITOR COMPOUNDS Kintsugi Therapeutics S.L. (ES) 2023-01-04 EP disclosed
US-20220332701-A1 HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ASCENTAGE PHARMA GROUP CORP LIMITED (HK) 2022-10-20 US disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
US-20050033049-A1 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-10 US disclosed
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101554-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 WO disclosed
EP-1479677-A1 New indole derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 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 (7 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-20050033049-A1 Indole derivatives as factor Xa inhibitors TFPI, TFPI2, F2 HRH3 1037/4885PIN1 897/4885SMAD3 763/4885
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK HRH3 1791/4885PIN1 1289/4885SMAD3 2119/4885
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS MAOA, DRD2, MAOB HRH3 554/4885PIN1 4812/4885SMAD3 4038/4885
US-11787783-B2 Heparanase inhibitors and use thereof HPSE, HEXD, ENGASE HRH3 284/4885PIN1 762/4885SMAD3 3213/4885
US-20220332701-A1 HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ABL1, ABL2, BCR HRH3 679/4885PIN1 4237/4885SMAD3 1468/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 HRH3 501/4885PIN1 2966/4885SMAD3 1099/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 HRH3 228/4885PIN1 1753/4885SMAD3 657/4885

“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.