SCHEMBL23928623

SCHEMBL23928623

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

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.73
CA12 O43570 3/20 0.53
CA9 Q16790 3/20 0.53
POLB P06746 1/20 0.51
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
NLRP3 Q96P20 1/20 0.48
FAAH O00519 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL23928524 0.87 PTGS2 (0.78) PTGS2CA12CA9POLBKMT2A
SCHEMBL23928572 0.87 PTGS2 (0.61) PTGS2CA12CA9POLBKMT2A
SCHEMBL23928584 0.85 PTGS2 (0.76) PTGS2CA12CA9POLBKMT2A
SCHEMBL23928566 0.85 PTGS2 (0.69) PTGS2CA12CA9POLBKMT2A
SCHEMBL9048935 0.84 PTGS2 (0.78) PTGS2CA12CA9POLBKMT2A
SCHEMBL23928490 0.84 PTGS2 (0.77) PTGS2CA12CA9POLBKMT2A
SCHEMBL23928639 0.83 PTGS2 (0.74) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL23928525 0.81 CA12 (0.73) PTGS2CA12CA9ALDH1A1SMN1; SMN2
SCHEMBL23928570 0.80 PTGS2 (0.57) PTGS2CA12CA9POLBKMT2A
SCHEMBL23928532 0.79 PTGS2 (0.69) PTGS2CA12CA9KMT2AMEN1

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 908/4885CA12 4702/4885CA9 4751/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 PTGS2 908/4885CA12 4702/4885CA9 4751/4885

“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.