SCHEMBL3139340

SCHEMBL3139340

O=Cc1ccc2ccc(CO)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
CA5A P35218 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PTGS2 P35354 1/20 0.41
ERN1 O75460 1/20 0.40
CYP2A6 P11509 6/20 0.39
ALDH1A1 P00352 3/20 0.38
AOX1 Q06278 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ALDH5A1 P51649 1/20 0.35

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
SCHEMBL13475717 0.94 RAB9A (0.47) RAB9ACA2CA12CA3CA4
SCHEMBL29433921 0.81 CYP2A6 (0.52) RAB9AKDM4EPTGS2CYP2A6ALDH1A1
SCHEMBL1487663 0.81 CYP2A6 (0.52) RAB9AKDM4EPTGS2CYP2A6ALDH1A1
SCHEMBL3039135 0.81 CA2 (0.52) CA2CA12CA3CA4CA6
SCHEMBL4589609 0.81 CA2 (0.40) RAB9ACA2CA12CA3CA4
SCHEMBL29195519 0.81 CYP2A6 (0.53) RAB9AHCAR2CYP2A6ALDH1A1AOX1
SCHEMBL1124751 0.77 ALDH5A1 (0.52) RAB9ACA2CA12CA4CA6
SCHEMBL3139624 0.77 RAB9A (0.54) RAB9ACA2HCAR2ERN1CYP2A6
SCHEMBL7066409 0.75 GRIN2D (0.44) HCAR2KDM4ECYP2A6ALDH1A1
SCHEMBL18643996 0.75 HCAR2 (0.46) RAB9ACA2HCAR2KDM4EPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081825-A1 1-NAPHTHYL ALKYLPIPERIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2010-04-01 US disclosed
CN-101595091-A 1-naphthyl alkylpiperidine derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2009-12-02 CN disclosed
EP-2098509-A1 1-NAPHTHYL ALKYLPIPERIDINE DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2009-09-09 EP disclosed
EP-1268495-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA INC. (CA) 2003-01-02 EP disclosed
US-6465444-B2 PROTEIN TYROSINE PHOSPHATASES(PTP-1B); ANTIDIABETIC, ANTITUMOR AND ANOREXIGENIC AGENTS; COMBINATION THERAPY MERCK FROSST CANADA & CO. 2002-10-15 US disclosed
US-20020002149-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-01-03 US disclosed
WO-2001070754-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 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 (2 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-20020002149-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO RAB9A 911/4885CA2 2577/4885CA12 4526/4885
US-20100081825-A1 1-NAPHTHYL ALKYLPIPERIDINE DERIVATIVE MCHR1, MCHR2, MC5R RAB9A 335/4885CA2 3530/4885CA12 4176/4885

“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.