SCHEMBL4254012

SCHEMBL4254012

COc1cccc(-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.62
ORAI1 Q96D31 1/20 0.62
HSD17B2 P37059 1/20 0.61
KMO O15229 1/20 0.61
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MITF O75030 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
MRGPRX4 Q96LA9 1/20 0.59
FABP1 P07148 1/20 0.59
KAT6A Q92794 1/20 0.57
GSK3B P49841 1/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL4179829 0.91 RXRA (0.67) STIM1ORAI1HSD17B2KMONPC1
SCHEMBL5924922 0.91 FABP1 (0.61) STIM1ORAI1HSD17B2KMOCES2
SCHEMBL6827745 0.89 CES2 (0.74) NPC1RAB9AMITFMEN1KMT2A
SCHEMBL63427 0.89 CES2 (0.74) NPC1RAB9AMITFMEN1KMT2A
SCHEMBL29351426 0.89 CES2 (0.74) NPC1RAB9AMITFMEN1KMT2A
SCHEMBL3639698 0.88 SMN1; SMN2 (0.74) STIM1ORAI1KMONPC1RAB9A
SCHEMBL505652 0.88 RXRA (0.72) STIM1ORAI1HSD17B2
SCHEMBL30278441 0.88 RXRA (0.72) STIM1ORAI1HSD17B2
Hydrochloric Acid SCHEMBL5773812 0.87 CES2 (0.71) NPC1RAB9AMITFMEN1KMT2A
SCHEMBL10403563 0.87 CES2 (0.71) NPC1RAB9AMITFMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US claimed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed
US-11214564-B2 Compounds with thymine skeleton for use in medicine Technische Universität Dresden (DE) 2022-01-04 US disclosed
US-11214564-B2 Compounds with thymine skeleton for use in medicine Technische Universität Dresden (DE) 2022-01-04 US disclosed
EP-3819006-A1 COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-12 EP disclosed
US-20210130328-A1 NOVEL COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-06 US disclosed
US-20210130328-A1 NOVEL COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-06 US disclosed
EP-2791130-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
WO-2015034271-A1 NOVEL ANTIFUNGAL PYRIDINYLHYDRAZIDE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-03-12 WO disclosed
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
EP-0736018-B1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2000-07-05 EP disclosed
US-6025375-A INHIBITORY ACTIVITY ON PLATELET AGGREGATION, VASODILATING ACTIVITY, ANTIHYPERTENSIVE ACTIVITY OR THE LIKE AND ARE PROSTAGLANDIN I.SUB.2 AGONISTS, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-15 US disclosed
EP-0889889-A1 PIPERAZINE AND PIPERIDINE COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1999-01-13 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
WO-1997036893-A1 PIPERAZINE AND PIPERIDINE COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1997-10-09 WO disclosed
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 CN disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1995017393-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-06-29 WO disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 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 (4 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-20210130328-A1 NOVEL COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE TMSB10, TMSB4X, TBCA STIM1 472/4885ORAI1 4507/4885HSD17B2 3330/4885
US-20130158042-A1 NOVEL COMPOUNDS GRM5, GRIK5, GRM1 STIM1 3179/4885ORAI1 2073/4885HSD17B2 3061/4885
US-11214564-B2 Compounds with thymine skeleton for use in medicine TMSB10, TMSB4X, TBCA STIM1 366/4885ORAI1 4389/4885HSD17B2 3043/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS STIM1 670/4885ORAI1 1411/4885HSD17B2 2039/4885

“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.