SCHEMBL23928520

SCHEMBL23928520

COC(=O)c1ccc(-n2cc(C(=O)Oc3ccccc3NC(C)=O)c(-c3ccc(S(C)(=O)=O)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.53
CA9 Q16790 13/20 0.53
CA1 P00915 7/20 0.53
CA2 P00918 7/20 0.53
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL23928469 0.89 MAPT (0.56) CA12CA9CA1CA2MAPT
SCHEMBL23928483 0.87 CA12 (0.58) CA12CA9CA1CA2MAPT
SCHEMBL23928494 0.86 CA12 (0.46) CA12CA9CA1CA2MAPT
SCHEMBL23928682 0.81 CA12 (0.57) CA12CA9CA1CA2MAPT
SCHEMBL23928554 0.80 CA12 (0.72) CA12CA9CA1CA2MAPT
SCHEMBL23928484 0.79 CA12 (0.60) CA12CA9CA1CA2MAPT
SCHEMBL23928616 0.79 MAPT (0.77) CA12CA9CA1CA2MAPT
SCHEMBL22095114 0.77 MAPT (0.78) CA12CA9MAPTKMT2AMEN1
SCHEMBL23928591 0.77 CA12 (0.82) CA12CA9CA1CA2MAPT
SCHEMBL23928532 0.74 PTGS2 (0.69) CA12CA9CA1CA2KMT2A

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 4751/4885CA1 3645/4885
US-11548875-B2 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.