SCHEMBL1972295

SCHEMBL1972295

Cc1ccc(S(=O)(=O)OC(=O)C2(CN3CCC(CN)CC3)CCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
HSD11B1 P28845 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 7/20 0.37
CYP2D6 P10635 2/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3296931 0.98 ALDH1A1 (0.37) CYP3A4HSD11B1KCNH2ALDH1A1CYP2D6
SCHEMBL1971159 0.91 CYP3A4 (0.41) CYP3A4ALDH1A1NPC1TSHRMAPK1
SCHEMBL1969857 0.83 HTR2A (0.39) CYP3A4HSD11B1KCNH2ALDH1A1CYP2D6
SCHEMBL3294534 0.81 ARG1 (0.41) ALDH1A1CYP2D6RAB9ANPC1POLB
SCHEMBL1968493 0.76 CYP4F2 (0.37) CYP2D6SMN1; SMN2
SCHEMBL2966819 0.74 MEN1 (0.38) CYP3A4ALDH1A1CYP2D6NPC1CYP1A2
SCHEMBL1971158 0.74 GAA (0.40) CYP3A4ALDH1A1NPC1TSHRKDM4E
SCHEMBL1970718 0.73 CYP4F2 (0.40) CYP2D6NPSR1SMN1; SMN2
SCHEMBL2724094 0.70 ALDH1A1 (0.45) CYP3A4ALDH1A1POLBHPGDNPSR1
SCHEMBL2966813 0.70 HTR4 (0.42) CYP3A4ALDH1A1CYP2D6NPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856110-B1 OXYINDOLE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER (US) 2011-06-22 EP disclosed
US-20100173925-A1 OXYINDOLE DERIVATIVES PFIZER INC 2010-07-08 US disclosed
US-7737163-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC. (US) 2010-06-15 US disclosed
US-7705020-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC. (US) 2010-04-27 US disclosed
US-7595329-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC (US) 2009-09-29 US disclosed
US-7589109-B2 Oxyindole derivatives PFIZER INC (US) 2009-09-15 US disclosed
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives PFIZER INC 2008-05-08 US disclosed
EP-1856110-A1 OXYINDOLE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS Pfizer, Inc. (US) 2007-11-21 EP disclosed
US-20060194842-A1 Oxyindole derivatives PFIZER INC. 2006-08-31 US disclosed
WO-2006090279-A1 OXYINDOLE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER JAPAN INC. (JP) 2006-08-31 WO disclosed
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives PFIZER JAPAN INC. (JP) 2005-12-15 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 (5 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-20100173925-A1 OXYINDOLE DERIVATIVES HTR4, HTR5A, HRH4 CYP3A4 266/4885HSD11B1 905/4885KCNH2 555/4885
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 CYP3A4 141/4885HSD11B1 1695/4885KCNH2 340/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 CYP3A4 141/4885HSD11B1 1695/4885KCNH2 340/4885
US-20060194842-A1 Oxyindole derivatives HTR4, HTR5A, HRH4 CYP3A4 266/4885HSD11B1 905/4885KCNH2 555/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 CYP3A4 151/4885HSD11B1 1588/4885KCNH2 335/4885

“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.