SCHEMBL23928653

SCHEMBL23928653

CS(=O)(=O)c1ccc(-c2nn(-c3ccc(OC(F)(F)F)cc3)cc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.51
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
NR1H4 Q96RI1 1/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 1/20 0.46
PTGS2 P35354 1/20 0.46
AURKB Q96GD4 1/20 0.46
TP53 P04637 1/20 0.46

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 0.91 MEN1 (0.52) AURKACA12CA9MAPTKDM4E
SCHEMBL23928638 0.90 MEN1 (0.59) AURKACA12CA9NR1H4MAPT
SCHEMBL22095635 0.90 MAPT (0.61) AURKACA12CA9NR1H4MAPT
SCHEMBL23928651 0.87 CA12 (0.52) AURKACA12CA9MAPTMEN1
SCHEMBL23928485 0.87 AURKA (0.56) AURKACA12CA9NR1H4MAPT
SCHEMBL23928567 0.86 NR1H4 (0.55) AURKACA12CA9NR1H4MAPT
SCHEMBL23928632 0.84 AURKA (0.54) AURKAMAPTKDM4EALDH1A1LMNA
SCHEMBL23928569 0.83 NR1H4 (0.52) AURKACA12CA9NR1H4MAPT
SCHEMBL23928575 0.81 CA12 (0.66) CA12CA9MAPTALDH1A1MEN1
SCHEMBL23928539 0.80 CA12 (0.69) CA12CA9ALDH1A1MEN1KMT2A

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

“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.