SCHEMBL6798197

SCHEMBL6798197

Cc1ccc(S(=O)(=O)n2cc(C3CC3C=O)c3ccc(C(F)(F)F)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
UBE2N P61088 1/20 0.41
HTR6 P50406 7/20 0.41
KLK7 P49862 5/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
FFAR1 O14842 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 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
SCHEMBL6798200 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EUBE2NHTR6KLK7
SCHEMBL6795435 0.92 KLK7 (0.44) ALDH1A1KDM4EUBE2NHTR6KLK7
SCHEMBL6628078 0.92 KLK7 (0.44) ALDH1A1KDM4EUBE2NHTR6KLK7
SCHEMBL6806305 0.84 KLK7 (0.44) KDM4EUBE2NHTR6KLK7
SCHEMBL6806308 0.84 KLK7 (0.44) KDM4EUBE2NHTR6KLK7
SCHEMBL6613796 0.84 KDM1A (0.44) KDM4EUBE2NHTR6KLK7
SCHEMBL6613791 0.84 KDM1A (0.44) KDM4EUBE2NHTR6KLK7
SCHEMBL6798691 0.81 KLK7 (0.52) KDM4EUBE2NHTR6KLK7LMNA
SCHEMBL6798692 0.81 KLK7 (0.52) KDM4EUBE2NHTR6KLK7LMNA
SCHEMBL6798901 0.81 KLK7 (0.52) KDM4EUBE2NHTR6KLK7LMNA

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 ALDH1A1 516/4885KDM4E 3636/4885UBE2N 4027/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C ALDH1A1 961/4885KDM4E 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.