SCHEMBL6795435

SCHEMBL6795435

Cc1ccc(S(=O)(=O)n2cc([C@@H]3C[C@H]3C=O)c3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.44
KDM4E B2RXH2 1/20 0.43
UBE2N P61088 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HTR6 P50406 6/20 0.41
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL6628078 1.00 KLK7 (0.44) KLK7KDM4EUBE2NALDH1A1HTR6
SCHEMBL6798197 0.92 ALDH1A1 (0.41) KLK7KDM4EUBE2NALDH1A1HTR6
SCHEMBL6798200 0.92 ALDH1A1 (0.41) KLK7KDM4EUBE2NALDH1A1HTR6
SCHEMBL6798692 0.88 KLK7 (0.52) KLK7KDM4EUBE2NHTR6LMNA
SCHEMBL6798691 0.88 KLK7 (0.52) KLK7KDM4EUBE2NHTR6LMNA
SCHEMBL6798901 0.88 KLK7 (0.52) KLK7KDM4EUBE2NHTR6LMNA
SCHEMBL6806305 0.84 KLK7 (0.44) KLK7KDM4EUBE2NHTR6L3MBTL1
SCHEMBL6806308 0.84 KLK7 (0.44) KLK7KDM4EUBE2NHTR6L3MBTL1
SCHEMBL6627879 0.84 HTR6 (0.44) KLK7KDM4EUBE2NHTR6L3MBTL1
SCHEMBL6800623 0.84 HTR6 (0.44) KLK7KDM4EUBE2NHTR6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KLK7 2774/4885KDM4E 3636/4885UBE2N 4027/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C KLK7 2523/4885KDM4E 2977/4885UBE2N 3903/4885

“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.