SCHEMBL17439304

SCHEMBL17439304

CS(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.64
PTGS1 P23219 2/20 0.61
AKR1C2 P52895 1/20 0.57
AKR1C1 Q04828 1/20 0.57
AKR1C3 P42330 1/20 0.57
NFE2L2 Q16236 1/20 0.54

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
SCHEMBL5698418 1.00 PTGS2 (0.64) PTGS2PTGS1AKR1C2AKR1C1AKR1C3
SCHEMBL16052791 1.00 PTGS2 (0.64) PTGS2PTGS1AKR1C2AKR1C1AKR1C3
SCHEMBL9720721 0.89 MAOB (0.55) PTGS2PTGS1AKR1C2AKR1C1AKR1C3
SCHEMBL9720723 0.89 MAOB (0.55) PTGS2PTGS1AKR1C2AKR1C1AKR1C3
SCHEMBL444872 0.87 PTGS2 (0.69) PTGS2PTGS1
Water SCHEMBL27918427 0.84 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7492252 0.82 NFE2L2 (0.62) PTGS2PTGS1AKR1C3NFE2L2
SCHEMBL9720714 0.81 MAOB (0.49) PTGS2PTGS1AKR1C2AKR1C1AKR1C3
SCHEMBL27722400 0.81 PTGS2 (0.59) PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL6470141 0.80 PTGS2 (0.74) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 US disclosed
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DCXR, TECR, PWWP2B PTGS2 585/4885PTGS1 1284/4885AKR1C2 387/4885

“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.