SCHEMBL6722778

SCHEMBL6722778

Cc1nc(-c2ccncc2-c2ccc(CS(=O)(=O)Cc3ccc(-c4cnccc4-c4csc(C)n4)cc3F)c(F)c2)cs1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 5/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.36
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
PTGS2 P35354 1/20 0.35
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GFER P55789 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
ESR2 Q92731 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6726472 0.84 GABRA1 (0.41) RPS6KA3PTGS2CYP19A1
SCHEMBL7044027 0.83 PTGS2 (0.41) RPS6KA3ALDH1A1HPGDALOX5APFEN1
SCHEMBL6718301 0.82 TGFBR1 (0.45) RPS6KA3ALOX5APFEN1PTGS2
SCHEMBL6725948 0.81 RPS6KA3 (0.46) RPS6KA3ALOX5APFEN1PTGS2
SCHEMBL6723317 0.81 RPS6KA3 (0.59) RPS6KA3ALOX5APFEN1PTGS2
SCHEMBL6731479 0.80 RPS6KA3 (0.41) RPS6KA3HPGDPTGS2CYP19A1KDM4E
SCHEMBL6720109 0.80 SCN9A (0.39) ALDH1A1HPGDALOX5APFEN1KDM4E
SCHEMBL6729507 0.80 RPS6KA3 (0.51) RPS6KA3ALOX5APFEN1PTGS2
SCHEMBL6725964 0.80 RPS6KA3 (0.45) RPS6KA3ALOX5APFEN1PTGS2
SCHEMBL6722648 0.80 RPS6KA3 (0.45) RPS6KA3ALOX5APFEN1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 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 (1 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-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 RPS6KA3 972/4885ALDH1A1 298/4885HPGD 1474/4885

“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.