SCHEMBL2940844

SCHEMBL2940844

Cc1ccc(S(=O)(=O)n2cc(C=CC(=O)O)c3cc(C#N)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.50
CA9 Q16790 5/20 0.50
HTR6 P50406 4/20 0.47
KDM4E B2RXH2 1/20 0.46
UBE2N P61088 1/20 0.46
KDM1A O60341 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 2/20 0.38
PTGS2 P35354 1/20 0.38
AKR1C3 P42330 1/20 0.38
ALK Q9UM73 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL6799911 1.00 CA2 (0.50) CA2CA9HTR6KDM4EUBE2N
SCHEMBL2940840 1.00 CA2 (0.50) CA2CA9HTR6KDM4EUBE2N
SCHEMBL2136415 0.87 CA2 (0.46) CA2CA9HTR6KDM4EUBE2N
SCHEMBL2137816 0.86 KDM4E (0.63) CA2CA9HTR6KDM4EUBE2N
SCHEMBL2940089 0.84 CA2 (0.53) CA2CA9HTR6KDM4EUBE2N
SCHEMBL2940086 0.84 CA2 (0.53) CA2CA9HTR6KDM4EUBE2N
SCHEMBL6613773 0.84 KDM4E (0.51) CA2CA9HTR6KDM4EUBE2N
SCHEMBL2136423 0.82 HTR6 (0.46) CA2CA9HTR6KDM4EUBE2N
SCHEMBL2136418 0.82 HTR6 (0.46) CA2CA9HTR6KDM4EUBE2N
SCHEMBL7828914 0.81 CA2 (0.71) CA2CA9HTR6KDM4EUBE2N

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
EP-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
EP-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 EP disclosed
WO-2010137351-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2010-12-02 WO disclosed
US-6822100-B2 REACTING N-SULFONYL-3-VINYLINDOLE WITH RUTHENIUM COMPLEX IN PRESENCE OF ETHYL DIAZOACETATE AND TOLUENE; PSYCHOLOGICAL, SEXUAL, AND EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-11-23 US disclosed
US-6777437-B2 ANTIDEPRESSANTS, ANXIOLYTIC AGENTS. SEXUAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors MATTSON RONALD J (US) 2004-07-22 US disclosed
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-17 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-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR1A, HTR1D, TPH1 CA2 4791/4885CA9 4765/4885HTR6 15/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C CA2 4773/4885CA9 4767/4885HTR6 13/4885

“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.