SCHEMBL23928557

SCHEMBL23928557

CS(=O)(=O)c1ccc(-c2nn(-c3cccc(C(F)(F)F)c3)cc2C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.62
CA9 Q16790 5/20 0.62
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.47
ELANE P08246 6/20 0.45
NOTUM Q6P988 1/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL23928525 0.87 CA12 (0.73) CA12CA9L3MBTL1ATMPTGS2
SCHEMBL16973964 0.87 NR1H4 (0.55) L3MBTL1ATMNR1H4ALDH1A1HPGD
SCHEMBL23928667 0.86 CA12 (0.65) CA12CA9L3MBTL1ATMPTGS2
SCHEMBL23928602 0.86 CA12 (0.68) CA12CA9L3MBTL1ATMALDH1A1
SCHEMBL23928668 0.84 CA12 (0.80) CA12CA9L3MBTL1ATMALDH1A1
SCHEMBL22095635 0.84 MAPT (0.61) CA12CA9NR1H4PTGS2ALDH1A1
SCHEMBL23928572 0.82 PTGS2 (0.61) CA12CA9PTGS2ALDH1A1HPGD
SCHEMBL22404963 0.82 LMNA (0.55) L3MBTL1ATMNR1H4ALDH1A1HPGD
SCHEMBL23928567 0.81 NR1H4 (0.55) CA12CA9NR1H4PTGS2ALDH1A1
SCHEMBL3545816 0.80 LMNA (0.63) L3MBTL1ATMALDH1A1HPGDKDM4E

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 4751/4885L3MBTL1 4048/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 CA12 4702/4885CA9 4751/4885L3MBTL1 4048/4885

“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.