SCHEMBL23928699

SCHEMBL23928699

CS(=O)(=O)c1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc(F)c(F)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.58
CA9 Q16790 7/20 0.58
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 1/20 0.57
RAB9A P51151 1/20 0.57
NR1H4 Q96RI1 1/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
KDM5B Q9UGL1 1/20 0.52
CDK2 P24941 4/20 0.52
FAAH O00519 1/20 0.51
KCNH2 Q12809 1/20 0.51
AURKA O14965 2/20 0.50

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
SCHEMBL22095213 0.92 AURKA (0.61) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL23928550 0.90 CA12 (0.54) CA12CA9CA1CA2MEN1
SCHEMBL23928562 0.90 MEN1 (0.55) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL23928658 0.89 MEN1 (0.64) CA12CA9CA1CA2MEN1
SCHEMBL23928651 0.88 CA12 (0.52) CA12CA9CA1CA2MEN1
SCHEMBL22095290 0.88 MEN1 (0.74) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL22095616 0.86 MEN1 (0.77) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL23928638 0.85 MEN1 (0.59) CA12CA9CA1CA2MEN1
SCHEMBL23928505 0.84 MEN1 (0.49) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL23928677 0.84 AURKA (0.60) CA12CA9CA1CA2MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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.