SCHEMBL23928651

SCHEMBL23928651

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.52
CA9 Q16790 10/20 0.52
AURKA O14965 9/20 0.51
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL23928688 0.90 MEN1 (0.52) CA12CA9AURKACA1CA2
SCHEMBL23928699 0.88 CA12 (0.58) CA12CA9AURKACA1CA2
SCHEMBL23928653 0.87 AURKA (0.51) CA12CA9AURKATP53MAPT
SCHEMBL23928632 0.86 AURKA (0.54) AURKATP53MAPTMEN1KMT2A
SCHEMBL22095213 0.86 AURKA (0.61) CA12CA9AURKATP53MAPT
SCHEMBL23928550 0.84 CA12 (0.54) CA12CA9AURKACA1CA2
SCHEMBL23928575 0.83 CA12 (0.66) CA12CA9CA1CA2MAPT
SCHEMBL23928539 0.82 CA12 (0.69) CA12CA9CA1CA2MEN1
SCHEMBL23928562 0.82 MEN1 (0.55) CA12CA9AURKATP53MAPT
SCHEMBL23928544 0.81 AURKA (0.51) CA12CA9AURKATP53MAPT

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 4751/4885AURKA 3852/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 CA12 4702/4885CA9 4751/4885AURKA 3852/4885

“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.