SCHEMBL3098697

SCHEMBL3098697

O=C(O)c1ccccc1COCl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ MRGPRX4 Q96LA9 1/20 0.54
▸ FOLH1 Q04609 4/20 0.53
▸ ALDH1A1 P00352 6/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ CLCN2 P51788 1/20 0.47
▸ HIF1A Q16665 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ HMGB1 P09429 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL23453516 0.83 TP53 (0.59) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL623624 0.82 TP53 (0.57) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL8481208 0.80 HTT (0.56) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL534811 0.80 HTT (0.56) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL31617745 0.80 HTT (0.56) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL1521052 0.80 TP53 (0.56) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL28980885 0.80 TP53 (0.56) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL1368181 0.78 TP53 (0.63) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL30873521 0.78 TP53 (0.54) TP53HTTMRGPRX4FOLH1ALDH1A1
SCHEMBL292345 0.78 TP53 (0.54) TP53HTTMRGPRX4FOLH1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140205711-A1 DIPEPTIDES AS FEED ADDITIVES EVONIK DEGUSSA GMBH (DE) 2014-07-24 — — US disclosed
US-20100247707-A1 DIPEPTIDES AS FEED ADDITIVES EVONIK DEGUSSA GMBH (DE) 2010-09-30 — — US disclosed
US-20090281114-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 — — US disclosed
WO-2009137733-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 — — WO disclosed
EP-1614683-B1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMA (US) 2007-11-21 — — EP disclosed
EP-1218348-B1 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMA (US) 2007-10-24 — — EP disclosed
US-7141587-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-28 — — US disclosed
EP-1667994-A1 QUINOLONE ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2006-06-14 — — EP disclosed
EP-1614683-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-01-11 — — EP disclosed
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS. INC. 2005-06-09 — — US disclosed
US-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, LLC 2004-09-02 — — US disclosed
WO-2003057164-A2 COMPOUNDS FOR DELIVERING SUBSTANCES INTO CELLS VAXIM, INC. (US) 2003-07-17 — — WO disclosed
US-20030134423-A1 Compounds for delivering substances into cells VAXIM, INC. 2003-07-17 — — US disclosed
US-6534524-B1 Antiproliferative agents, including axitinib AGOURON PHARMACEUTICALS, INC. 2003-03-18 — — US disclosed
US-6531491-B1 Methods of treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, AGOURON PHARAMACEUTICALS, INC. 2003-03-11 — — US disclosed
EP-1218348-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2002-07-03 — — EP disclosed
WO-2001002369-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2001-01-11 — — WO disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 — — US disclosed
US-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 — — US disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 — — 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 (5 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-20100247707-A1 DIPEPTIDES AS FEED ADDITIVES AADAT, BCAT2, SLC7A11 TP53 950/4885HTT 199/4885MRGPRX4 4429/4885
US-20030134423-A1 Compounds for delivering substances into cells ABCB4, APOB, HNRNPH1 TP53 487/4885HTT 168/4885MRGPRX4 2166/4885
US-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 TP53 195/4885HTT 3057/4885MRGPRX4 1714/4885
US-20090281114-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION HTR5A, TPH2, IDO2 TP53 3626/4885HTT 1939/4885MRGPRX4 1789/4885
US-20050124662-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 TP53 195/4885HTT 3057/4885MRGPRX4 1714/4885

“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.

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