SCHEMBL4940352

SCHEMBL4940352

CS(=O)(=O)OCc1cccc(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.55
PNMT P11086 1/20 0.47
TAAR1 Q96RJ0 1/20 0.43
BRD4 O60885 1/20 0.40
AKR1B1 P15121 1/20 0.39
AR P10275 1/20 0.39
CARM1 Q86X55 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.36
CYP2A13 Q16696 2/20 0.36
DBH P09172 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 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
SCHEMBL10962586 0.85 IDO1 (0.52) IDO1PNMTTAAR1ALDH1A1KDM4E
SCHEMBL9830432 0.83 TAAR1 (0.49) IDO1PNMTTAAR1BRD4AKR1B1
SCHEMBL16396129 0.83 IDO1 (0.36) IDO1BRD4ALDH1A1KMT2AMEN1
SCHEMBL4479848 0.80 HTR6 (0.36) IDO1ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL31373399 0.79 RECQL (0.42) TAAR1AKR1B1ALDH1A1KDM4EPOLB
SCHEMBL16822070 0.79 P2RX7 (0.34) IDO1BRD4ARCYP3A4MAPT
SCHEMBL5273095 0.78 CYP1A2 (0.41) IDO1ARALDH1A1KDM4EPOLB
Methanesulfonic Acid Ethyl Ester SCHEMBL28069670 0.78 ALDH1A1 (0.40) IDO1PNMTALDH1A1KMT2AMEN1
SCHEMBL27962497 0.76 IDO1 (0.47) IDO1PNMTTAAR1AKR1B1AR
SCHEMBL6011772 0.76 PNMT (0.52) IDO1PNMTTAAR1AKR1B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261976-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20080261976-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20040180890-A1 Novel piperidinecarboxamide derivatives, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2004-09-16 US disclosed
US-6479498-B1 COMPRISE 2-10 SODIUM CHANNEL LIGANDS COVALENTLY CONNECTED BY A LINKER OR LINKERS THERAVANCE, INC. 2002-11-12 US disclosed
US-6420354-B1 Sodium channel drugs and uses ADVANCED MEDICINE, INC. 2002-07-16 US 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-20080261976-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TACR2, TACR1, KIT IDO1 1389/4885PNMT 1183/4885TAAR1 728/4885
US-20040180890-A1 Novel piperidinecarboxamide derivatives, method for preparing same and pharmaceutical compositions containing same KIT, TACR2, P2RX3 IDO1 1235/4885PNMT 1248/4885TAAR1 539/4885

“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.