SCHEMBL23928556

SCHEMBL23928556

C/C(=N\Nc1ccccc1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.46
MGLL Q99685 5/20 0.46
KMT2A Q03164 6/20 0.44
ALPI P09923 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.42
KIF11 P52732 2/20 0.41
PTGS2 P35354 1/20 0.40
CYP2C9 P11712 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL23928565 0.83 FAAH (0.50) FAAHMGLLKMT2AALPIPTGS2
SCHEMBL23928577 0.80 GAA (0.53) FAAHMGLLKMT2AALPISMN1; SMN2
SCHEMBL23928617 0.76 FAAH (0.52) FAAHMGLLKMT2ASMN1; SMN2GAA
SCHEMBL23928582 0.75 MEN1 (0.71) FAAHMGLLKMT2ASMN1; SMN2GAA
SCHEMBL8308765 0.74 FAAH (0.68) FAAHMGLLKMT2ASMN1; SMN2GAA
SCHEMBL518815 0.72 CRHR1 (0.51) KMT2ASMN1; SMN2GAAAKR1C3AKR1C2
SCHEMBL23928536 0.71 FAAH (0.70) FAAHMGLLKMT2AGAAPTGS2
SCHEMBL23928659 0.71 PTGS2 (0.51) FAAHMGLLKMT2ASMN1; SMN2GAA
SCHEMBL23928568 0.70 FAAH (0.54) FAAHMGLLKMT2ASMN1; SMN2GAA
SCHEMBL23928604 0.69 GAA (0.60) FAAHMGLLKMT2ASMN1; SMN2GAA

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 4181/4885KMT2A 1384/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 FAAH 3351/4885MGLL 4181/4885KMT2A 1384/4885

“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.