SCHEMBL400060

SCHEMBL400060

C=C(Cc1cccc(Br)c1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.50
▸ ERBB2 P04626 5/20 0.50
▸ KDM4E B2RXH2 1/20 0.46
▸ HCAR2 Q8TDS4 2/20 0.45
▸ SIGMAR1 Q99720 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ GLS O94925 1/20 0.43
▸ FFAR1 O14842 2/20 0.42
▸ FFAR4 Q5NUL3 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ AGXT P21549 1/20 0.42

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
SCHEMBL3423556 0.87 CTBP2 (0.44) —
SCHEMBL6669579 0.81 EGFR (0.53) EGFRERBB2KDM4EHCAR2SIGMAR1
SCHEMBL7134071 0.81 TAAR1 (0.48) EGFRERBB2HCAR2SIGMAR1TAAR1
SCHEMBL6047068 0.81 THRB (0.33) EGFRERBB2KDM4ENPC1RAB9A
SCHEMBL78652 0.81 AKR1B1 (0.58) EGFRERBB2KDM4EHCAR2SIGMAR1
SCHEMBL8215471 0.80 EGFR (0.46) EGFRERBB2KDM4ETAAR1MAPK8
SCHEMBL19656181 0.80 TAAR1 (0.46) HCAR2TAAR1FFAR1FFAR4NPC1
SCHEMBL1137221 0.80 CTBP2 (0.60) KDM4ESIGMAR1TAAR1IDO1
Hydrochloric Acid SCHEMBL1374336 0.79 AKR1B1 (0.56) EGFRERBB2KDM4EHCAR2SIGMAR1
Methane SCHEMBL10697726 0.79 AKR1B1 (0.56) EGFRERBB2KDM4EHCAR2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815935-B2 Inhibitors of protein prenyltransferases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 — — US disclosed
US-20130102639-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-25 — — US disclosed
US-8101665-B2 Process for synthesis of tritiated and deuterated thiorphan and acetorphan ROCHE PALO ALTO LLC (US) 2012-01-24 — — US disclosed
US-8101665-B2 Process for synthesis of tritiated and deuterated thiorphan and acetorphan ROCHE PALO ALTO LLC (US) 2012-01-24 — — US disclosed
US-8101665-B2 Process for synthesis of tritiated and deuterated thiorphan and acetorphan ROCHE PALO ALTO LLC (US) 2012-01-24 — — US disclosed
US-20110319656-A1 PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN ROCHE PALO ALTO LLC 2011-12-29 — — US disclosed
US-20110319656-A1 PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN ROCHE PALO ALTO LLC 2011-12-29 — — US disclosed
US-20110319656-A1 PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN ROCHE PALO ALTO LLC 2011-12-29 — — US disclosed
CN-102174017-A Pyrazolyl derivatives in the form of drugs for treating acute or chronic neuronal regressions AVENTIS PHARMA SA 2011-09-07 — — CN disclosed
US-20110178138-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-21 — — US disclosed
WO-2009077386-A1 PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 — — WO disclosed
WO-2009077386-A1 PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 — — WO disclosed
CN-1906172-A Pyrazole derivatives as medicaments for the treatment of acute or chronic neuronal degeneration AVENTIS PHARMA SA (FR) 2007-01-31 — — CN disclosed
EP-0888341-B1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES AVENTIS PHARMA SA (FR) 2005-11-30 — — 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 (3 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-20110319656-A1 PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN NAT1, ZRANB2, TXN EGFR 2255/4885ERBB2 3082/4885KDM4E 4066/4885
US-20130102639-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES RABGGTA, FNTA, RABGGTB EGFR 3525/4885ERBB2 3814/4885KDM4E 2985/4885
US-20110178138-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES RABGGTA, FNTA, RABGGTB EGFR 3525/4885ERBB2 3814/4885KDM4E 2985/4885

“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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