SCHEMBL23928536

SCHEMBL23928536

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.70
MGLL Q99685 5/20 0.70
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 2/20 0.60
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA9 Q16790 4/20 0.53
CA4 P22748 1/20 0.53
MAPT P10636 4/20 0.52
GAA P10253 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
CA12 O43570 3/20 0.50
KMT2A Q03164 2/20 0.50
CASP6 P55212 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL20718839 0.86 ALDH1A1 (0.77) FAAHMGLLALDH1A1KDM4EMAPT
SCHEMBL20718836 0.86 ALDH1A1 (0.77) FAAHMGLLALDH1A1KDM4EMAPT
SCHEMBL8308765 0.85 FAAH (0.68) FAAHMGLLALDH1A1KDM4ECA1
SCHEMBL23928617 0.85 FAAH (0.52) FAAHMGLLALDH1A1KDM4ECA1
SCHEMBL23928568 0.83 FAAH (0.54) FAAHMGLLALDH1A1CA1CA2
SCHEMBL23928652 0.83 FAAH (0.54) FAAHMGLLALDH1A1KDM4ECA1
SCHEMBL23928604 0.82 GAA (0.60) FAAHMGLLALDH1A1KDM4ECA1
SCHEMBL23928537 0.82 MAPT (0.67) FAAHMGLLALDH1A1KDM4ECA1
SCHEMBL23928659 0.81 PTGS2 (0.51) FAAHMGLLALDH1A1KDM4ECA1
SCHEMBL21623623 0.81 ALDH1A1 (0.71) FAAHMGLLALDH1A1KDM4EMAPT

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 4181/4885ALDH1A1 1/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 FAAH 3351/4885MGLL 4181/4885ALDH1A1 1/4885

“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.