SCHEMBL23928537

SCHEMBL23928537

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
THRB P10828 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.52
FAAH O00519 6/20 0.50
MGLL Q99685 5/20 0.50
HTT P42858 2/20 0.50
PTGS2 P35354 1/20 0.48
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL23928549 0.85 MAPT (0.49) MAPTTHRBSMN1; SMN2FAAHMGLL
SCHEMBL23928536 0.82 FAAH (0.70) MAPTFAAHMGLLPTGS2CA12
SCHEMBL8308765 0.81 FAAH (0.68) MAPTSMN1; SMN2FAAHMGLLPTGS2
SCHEMBL23928614 0.80 MAPT (1.00) MAPTTHRBSMN1; SMN2HTTNPC1
SCHEMBL11730442 0.80 MAPT (0.64) MAPTTHRBSMN1; SMN2HTTCA9
SCHEMBL12670654 0.80 MAPT (0.64) MAPTTHRBSMN1; SMN2HTTCA9
SCHEMBL23928657 0.80 MAPT (0.64) MAPTTHRBSMN1; SMN2HTTCA9
SCHEMBL23928652 0.80 FAAH (0.54) MAPTSMN1; SMN2FAAHMGLLCA12
SCHEMBL23928604 0.79 GAA (0.60) MAPTSMN1; SMN2FAAHMGLLHTT
SCHEMBL3369760 0.79 SMN1; SMN2 (0.47) MAPTTHRBSMN1; SMN2HTTPTGS2

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 MAPT 4083/4885THRB 3666/4885SMN1; SMN2 2873/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 MAPT 4083/4885THRB 3666/4885SMN1; SMN2 2873/4885

“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.