SCHEMBL23928617

SCHEMBL23928617

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.52
MGLL Q99685 5/20 0.52
MAPT P10636 4/20 0.50
GAA P10253 3/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
RECQL P46063 1/20 0.50
GFER P55789 1/20 0.50
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
AKR1C3 P42330 1/20 0.48
PTGS2 P35354 2/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 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
SCHEMBL23928582 0.85 MEN1 (0.71) FAAHMGLLMAPTGAAPOLB
SCHEMBL23928536 0.85 FAAH (0.70) FAAHMGLLMAPTGAAPOLB
SCHEMBL23928659 0.83 PTGS2 (0.51) FAAHMGLLMAPTGAAPOLB
SCHEMBL23928604 0.82 GAA (0.60) FAAHMGLLMAPTGAAPOLB
SCHEMBL8308765 0.81 FAAH (0.68) FAAHMGLLMAPTGAAPOLB
SCHEMBL23928548 0.80 ALDH1A1 (0.63) MAPTGAAPOLBTDP1RECQL
SCHEMBL23928652 0.80 FAAH (0.54) FAAHMGLLMAPTGAAPOLB
SCHEMBL23928537 0.78 MAPT (0.67) FAAHMGLLMAPTGAAPOLB
SCHEMBL23928556 0.76 FAAH (0.46) FAAHMGLLMAPTGAAPOLB
SCHEMBL863126 0.75 PTGS2 (0.68) AKR1C3PTGS2CA1CA2

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 FAAH 3351/4885MGLL 4181/4885MAPT 4083/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 FAAH 3351/4885MGLL 4181/4885MAPT 4083/4885

“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.