SCHEMBL23928650

SCHEMBL23928650

Cn1cccc1C(=O)N1CCN(c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
THRB P10828 6/20 0.50
VDR P11473 5/20 0.49
MITF O75030 1/20 0.49
PPARG P37231 1/20 0.49
THRA P10827 4/20 0.49
CYP1A2 P05177 4/20 0.45
USP2 O75604 3/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 2/20 0.45
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.44
HPGDS O60760 2/20 0.44

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
SCHEMBL23928471 0.83 GAA (0.55) GAACYP1A2USP2HPGDTP53
SCHEMBL22095447 0.82 THRB (0.59) THRBVDRTHRA
SCHEMBL23928499 0.80 NPSR1 (0.62) GAACYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL22111256 0.80 NPSR1 (0.64) GAACYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL30124854 0.77 ALDH1A1 (0.64) THRBVDRTHRAMEN1KMT2A
SCHEMBL23928495 0.76 GAA (0.54) GAACYP1A2USP2HPGDTP53
SCHEMBL29039331 0.75 HPGD (0.61) THRBTHRACYP1A2HPGDCYP3A4
SCHEMBL22094945 0.73 THRB (0.48) THRBVDRTHRACYP1A2HPGD
SCHEMBL5658689 0.72 USP2 (0.78) GAACYP1A2USP2HPGDTP53
SCHEMBL7048759 0.70 KIF18A (0.57) GAATHRBHPGDMEN1KMT2A

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 GAA 3740/4885THRB 3666/4885VDR 1205/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 GAA 3740/4885THRB 3666/4885VDR 1205/4885

“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.