SCHEMBL6730679

SCHEMBL6730679

O=S(=O)(Cc1ccc(-c2cnccc2-c2cccnc2)cc1F)Cc1ccc(-c2cnccc2-c2cccnc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 13/20 0.48
PTGS2 P35354 1/20 0.42
ERN1 O75460 1/20 0.40
ABCB1 P08183 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2E1 P05181 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C8 P10632 1/20 0.38

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
SCHEMBL6721866 0.91 RPS6KA3 (0.56) RPS6KA3PTGS2
SCHEMBL6719208 0.89 SLC22A12 (0.50) RPS6KA3CYP3A4
SCHEMBL6729769 0.88 RPS6KA3 (0.45) RPS6KA3PTGS2
SCHEMBL6723848 0.87 RPS6KA3 (0.57) RPS6KA3PTGS2
SCHEMBL6725741 0.87 RPS6KA3 (0.61) RPS6KA3PTGS2PDE3BPDE3A
SCHEMBL6729132 0.87 RPS6KA3 (0.44) RPS6KA3CYP3A4CYP2C9
SCHEMBL6730188 0.87 RPS6KA3 (0.44) RPS6KA3CYP1A2
SCHEMBL6719310 0.86 RPS6KA3 (0.49) RPS6KA3PTGS2
SCHEMBL6725468 0.86 RPS6KA3 (0.46) RPS6KA3PTGS2CYP3A4
SCHEMBL6725948 0.85 RPS6KA3 (0.46) RPS6KA3PTGS2

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 972/4885PTGS2 5/4885ERN1 2329/4885

“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.