SCHEMBL23928500

SCHEMBL23928500

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

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 17/20 0.73
CA9 Q16790 17/20 0.73
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.50
CA1 P00915 10/20 0.49
CA2 P00918 10/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTGS2 P35354 1/20 0.47

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
SCHEMBL23928637 0.88 CA12 (0.62) CA12CA9L3MBTL1CA1CA2
SCHEMBL23928634 0.86 CA12 (0.80) CA12CA9L3MBTL1ATMCA1
SCHEMBL9047123 0.86 CA12 (0.80) CA12CA9L3MBTL1ATMCA1
SCHEMBL23928668 0.86 CA12 (0.80) CA12CA9L3MBTL1ATMCA1
SCHEMBL23928609 0.85 CA12 (0.78) CA12CA9L3MBTL1ATMCA1
SCHEMBL23928488 0.84 ALDH1A1 (0.67) L3MBTL1ATMKDM4EALDH1A1HPGD
SCHEMBL23928514 0.83 CA12 (0.76) CA12CA9L3MBTL1ATMCA1
SCHEMBL30963700 0.83 L3MBTL1 (0.74) CA12CA9L3MBTL1ATMCA1
SCHEMBL23928481 0.82 AURKA (0.57) CA12CA9L3MBTL1ATMCA1
SCHEMBL23928525 0.82 CA12 (0.73) CA12CA9L3MBTL1ATMCA1

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 4751/4885L3MBTL1 4048/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 CA12 4702/4885CA9 4751/4885L3MBTL1 4048/4885

“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.