SCHEMBL23928524

SCHEMBL23928524

CS(=O)(=O)c1ccc(-c2nn(-c3ccc(F)cc3)cc2C=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.78
POLB P06746 1/20 0.68
FAAH O00519 1/20 0.58
KCNH2 Q12809 1/20 0.58
CA9 Q16790 6/20 0.55
CA12 O43570 5/20 0.55
PTGS1 P23219 1/20 0.55
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
KMT2A Q03164 2/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 1/20 0.51
NLRP3 Q96P20 1/20 0.51
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL14610061 0.88 POLB (0.86) PTGS2POLBCA9CA12CA1
SCHEMBL9048935 0.88 PTGS2 (0.78) PTGS2POLBFAAHKCNH2CA9
SCHEMBL23928490 0.87 PTGS2 (0.77) PTGS2POLBCA9CA12KMT2A
SCHEMBL23928623 0.87 PTGS2 (0.73) PTGS2POLBFAAHKCNH2CA9
SCHEMBL23928584 0.86 PTGS2 (0.76) PTGS2POLBCA9CA12CA1
SCHEMBL23928489 0.86 PTGS2 (0.65) PTGS2POLBFAAHKCNH2CA9
SCHEMBL16973972 0.84 POLB (0.75) PTGS2POLBCA9CA12KMT2A
SCHEMBL23928566 0.84 PTGS2 (0.69) PTGS2POLBFAAHKCNH2CA9
SCHEMBL20726104 0.82 POLB (0.75) PTGS2POLBCA9CA12CA1
SCHEMBL20718854 0.82 PTGS2 (0.86) PTGS2POLBCA9CA12CA1

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-11548875-B2 Inhibitor compounds for male contraception UNIVERSITY OF WASHINGTON (US) 2023-01-10 US disclosed
US-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2021-10-28 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-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION ALDH1A1, ALDH3A1, ALDH16A1 PTGS2 908/4885POLB 1596/4885FAAH 3351/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 PTGS2 908/4885POLB 1596/4885FAAH 3351/4885

“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.