SCHEMBL2659547

SCHEMBL2659547

CC(=O)OCc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
HCAR2 Q8TDS4 1/20 0.60
MAOB P27338 4/20 0.59
MAOA P21397 3/20 0.59
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP12 P39900 1/20 0.56
HTT P42858 1/20 0.56
CYP3A4 P08684 3/20 0.55
IDO1 P14902 2/20 0.55
AGXT P21549 2/20 0.55
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
HPGD P15428 1/20 0.52
NR4A2 P43354 1/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
ALOX5 P09917 1/20 0.50

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
Butane SCHEMBL10801030 0.95 HCAR2 (0.56) ALDH1A1HCAR2MAOBMAOAMMP1
SCHEMBL6709375 0.87 ALDH1A1 (0.73) ALDH1A1HCAR2MAOBCYP3A4KDM4E
SCHEMBL27577784 0.85 HCAR2 (0.64) ALDH1A1HCAR2MAOBMAOAMMP1
SCHEMBL20267796 0.85 CYP3A4 (0.58) ALDH1A1HCAR2MAOBMAOAMMP1
SCHEMBL134801 0.84 ALDH1A1 (0.63) ALDH1A1HCAR2MAOBMAOAMMP1
SCHEMBL11740218 0.83 ALDH1A1 (0.56) ALDH1A1HCAR2MAOBMAOAMMP1
SCHEMBL13667239 0.83 MAOB (0.49) ALDH1A1HCAR2MAOBMAOAHPGD
SCHEMBL13467287 0.83 HCAR2 (0.57) ALDH1A1HCAR2MAOBMAOAMMP1
SCHEMBL7975207 0.83 ALDH1A1 (0.60) ALDH1A1HCAR2MAOBMAOAMMP1
SCHEMBL20083591 0.82 ALDH1A1 (0.61) ALDH1A1HCAR2MAOBMAOAMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58008005-A None JP disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
WO-2021188620-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA INC. (US) 2021-09-23 WO disclosed
EP-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 EP disclosed
US-10711036-B2 MALT1 inhibitors and uses thereof CORNELL UNIVERSITY (US) 2020-07-14 US disclosed
WO-2017040304-A1 MALT1 INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2017-03-09 WO disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-20040097557-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use DUFFY JOSEPH L (US) 2004-05-20 US disclosed
CN-1413190-A EP4 receptor selective agonists in treatment of osteoporosis PFIZER PROD INC (US) 2003-04-23 CN disclosed
US-6278019-B1 REACTING ALKYL GROUP SUBSTITUTED AROMATIC COMPOUND AND A CARBOXYLIC ACID AND/OR A CARBOXYLIC ANHYDRIDE IN PRESENCE OF OXYGEN CONTAINING GAS AND SOLID CATALYST SELECTED FROM COABLT, CERIUM AND MANGANESE SUPPORTED ON SOLID SUPPORT TORAY INDUSTRIES, INC. (JP) 2001-08-21 US disclosed
EP-0963974-A1 PROCESS FOR ACYLOXYLATING SIDE CHAINS OF ALKYL-SUBSTITUTED AROMATIC COMPOUNDS AND CATALYSTS USED THEREFOR TORAY INDUSTRIES, INC. (JP) 1999-12-15 EP disclosed
US-4709081-A ETHERIFICATION, HYDROLYSIS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1987-11-24 US disclosed
JP-S588005-A REPELLENT FOR NOXIOUS INSECT EARTH CHEM CORP LTD 1983-01-18 JP 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 (6 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885HCAR2 3540/4885MAOB 186/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885HCAR2 3540/4885MAOB 186/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885HCAR2 3540/4885MAOB 186/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885HCAR2 3540/4885MAOB 186/4885
US-10711036-B2 MALT1 inhibitors and uses thereof MALT1, BCL3, BCL6 ALDH1A1 2550/4885HCAR2 2887/4885MAOB 1834/4885
US-20040097557-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use GLP1R, GPR119, GCGR ALDH1A1 2652/4885HCAR2 437/4885MAOB 1594/4885

“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.