SCHEMBL6804652

SCHEMBL6804652

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
UBE2N P61088 1/20 0.64
ALDH1A1 P00352 1/20 0.46
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTR6 P50406 7/20 0.41
S1PR1 P21453 1/20 0.41
GAA P10253 1/20 0.40
FFAR1 O14842 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL6798902 0.90 KDM4E (0.64) KDM4EUBE2NALDH1A1SLC1A3SLC1A2
SCHEMBL28301827 0.87 KDM4E (0.74) KDM4EUBE2NCA2CA9L3MBTL1
SCHEMBL2134749 0.85 KDM4E (0.67) KDM4EUBE2NALDH1A1CA2CA9
SCHEMBL15598333 0.84 ALDH1A1 (0.47) KDM4EUBE2NALDH1A1SLC1A3SLC1A2
SCHEMBL18080756 0.82 KDM4E (0.67) KDM4EUBE2NCA2CA9L3MBTL1
SCHEMBL30542068 0.81 KDM4E (0.73) KDM4EUBE2NALDH1A1CA2CA9
SCHEMBL6625206 0.81 KDM4E (0.65) KDM4EUBE2NALDH1A1CA2CA9
SCHEMBL14735377 0.81 KDM4E (0.73) KDM4EUBE2NALDH1A1CA2CA9
SCHEMBL6798197 0.79 ALDH1A1 (0.41) KDM4EUBE2NALDH1A1SLC1A3SLC1A2
SCHEMBL6798200 0.79 ALDH1A1 (0.41) KDM4EUBE2NALDH1A1SLC1A3SLC1A2

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 KDM4E 3636/4885UBE2N 4027/4885ALDH1A1 516/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C KDM4E 2977/4885UBE2N 3903/4885ALDH1A1 961/4885

“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.