SCHEMBL23928659

SCHEMBL23928659

C/C(=N\Nc1ccc(OC(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.51
FAAH O00519 6/20 0.49
MGLL Q99685 5/20 0.49
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
EPAS1 Q99814 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 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
SCHEMBL23928617 0.83 FAAH (0.52) PTGS2FAAHMGLLMAPTTDP1
SCHEMBL12744947 0.82 MAPT (0.54) MAPTTDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL23928652 0.82 FAAH (0.54) FAAHMGLLMAPTTDP1ALDH1A1
SCHEMBL23928536 0.81 FAAH (0.70) PTGS2FAAHMGLLMAPTTDP1
SCHEMBL8308765 0.78 FAAH (0.68) PTGS2FAAHMGLLMAPTTDP1
SCHEMBL514383 0.78 PTGS2 (0.65) PTGS2SMN1; SMN2TP53KIF11
SCHEMBL13429325 0.76 EPHX2 (0.73) PTGS2FAAHMAPTALDH1A1MEN1
SCHEMBL23928604 0.76 GAA (0.60) FAAHMGLLMAPTTDP1ALDH1A1
SCHEMBL23928537 0.75 MAPT (0.67) PTGS2FAAHMGLLMAPTTDP1
SCHEMBL23928582 0.74 MEN1 (0.71) FAAHMGLLMAPTALDH1A1SMN1; SMN2

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 PTGS2 908/4885FAAH 3351/4885MGLL 4181/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 PTGS2 908/4885FAAH 3351/4885MGLL 4181/4885

“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.