SCHEMBL23928514

SCHEMBL23928514

CS(=O)(=O)c1ccc(-c2nn(-c3ccncc3)cc2C(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.76
CA9 Q16790 13/20 0.76
ALDH1A1 P00352 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
HPGD P15428 2/20 0.66
KDM4E B2RXH2 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HSD17B10 Q99714 1/20 0.66
ATM Q13315 1/20 0.54
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PTGS2 P35354 1/20 0.48
MELK Q14680 1/20 0.48

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
SCHEMBL23928668 0.90 CA12 (0.80) CA12CA9ALDH1A1L3MBTL1HPGD
SCHEMBL9047123 0.88 CA12 (0.80) CA12CA9ALDH1A1L3MBTL1HPGD
SCHEMBL23928634 0.88 CA12 (0.80) CA12CA9ALDH1A1L3MBTL1HPGD
SCHEMBL23928609 0.86 CA12 (0.78) CA12CA9ALDH1A1L3MBTL1HPGD
SCHEMBL23928525 0.86 CA12 (0.73) CA12CA9ALDH1A1L3MBTL1HPGD
SCHEMBL15070383 0.85 ALDH1A1 (0.88) CA12CA9ALDH1A1L3MBTL1HPGD
SCHEMBL15072203 0.84 ALDH1A1 (0.72) CA12CA9ALDH1A1L3MBTL1HPGD
SCHEMBL23928500 0.83 CA12 (0.73) CA12CA9ALDH1A1L3MBTL1HPGD
SCHEMBL15072193 0.83 ALDH1A1 (0.74) CA12CA9ALDH1A1L3MBTL1HPGD
SCHEMBL15076914 0.83 ALDH1A1 (0.89) ALDH1A1L3MBTL1HPGDKDM4ESMN1; SMN2

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 4751/4885ALDH1A1 1/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 CA12 4702/4885CA9 4751/4885ALDH1A1 1/4885

“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.