SCHEMBL6798692

SCHEMBL6798692

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 4/20 0.52
HTR6 P50406 12/20 0.50
KDM4E B2RXH2 1/20 0.45
UBE2N P61088 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6798691 1.00 KLK7 (0.52) KLK7HTR6KDM4EUBE2NPTGDR2
SCHEMBL6798901 1.00 KLK7 (0.52) KLK7HTR6KDM4EUBE2NPTGDR2
SCHEMBL6806308 0.88 KLK7 (0.44) KLK7HTR6KDM4EUBE2NKCNH2
SCHEMBL6806305 0.88 KLK7 (0.44) KLK7HTR6KDM4EUBE2NKCNH2
SCHEMBL6795435 0.88 KLK7 (0.44) KLK7HTR6KDM4EUBE2NLMNA
SCHEMBL6628078 0.88 KLK7 (0.44) KLK7HTR6KDM4EUBE2NLMNA
SCHEMBL6799779 0.85 HTR6 (0.44) KLK7HTR6KDM4EUBE2NKCNH2
SCHEMBL6800623 0.85 HTR6 (0.44) KLK7HTR6KDM4EUBE2NKCNH2
SCHEMBL6627879 0.85 HTR6 (0.44) KLK7HTR6KDM4EUBE2NKCNH2
SCHEMBL6799995 0.85 HTR6 (0.44) KLK7HTR6KDM4EUBE2NKCNH2

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 2774/4885HTR6 15/4885KDM4E 3636/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C KLK7 2523/4885HTR6 13/4885KDM4E 2977/4885

“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.