SCHEMBL23928591

SCHEMBL23928591

COC(=O)c1cn(-c2ccc(F)cc2)nc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 15/20 0.82
CA9 Q16790 15/20 0.82
CA1 P00915 9/20 0.82
CA2 P00918 9/20 0.82
MAPT P10636 2/20 0.59
FAAH O00519 1/20 0.57
KCNH2 Q12809 1/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTT P42858 1/20 0.53

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
SCHEMBL23928616 0.88 MAPT (0.77) CA12CA9CA1CA2MAPT
SCHEMBL23928609 0.87 CA12 (0.78) CA12CA9CA1CA2FAAH
SCHEMBL23928640 0.87 CA12 (0.63) CA12CA9CA1CA2MAPT
SCHEMBL23928575 0.87 CA12 (0.66) CA12CA9CA1CA2MAPT
SCHEMBL23928637 0.86 CA12 (0.62) CA12CA9CA1CA2MAPT
SCHEMBL23928484 0.84 CA12 (0.60) CA12CA9CA1CA2MAPT
SCHEMBL23928554 0.83 CA12 (0.72) CA12CA9CA1CA2MAPT
SCHEMBL23928699 0.80 CA12 (0.58) CA12CA9CA1CA2MAPT
SCHEMBL22095290 0.80 MEN1 (0.74) MAPTALDH1A1MEN1KMT2A
SCHEMBL23928634 0.76 CA12 (0.80) CA12CA9CA1CA2FAAH

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 CA12 4702/4885CA9 4751/4885CA1 3645/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 CA12 4702/4885CA9 4751/4885CA1 3645/4885

“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.