SCHEMBL17289569

SCHEMBL17289569

S=C=NC1CC=C(CC2=CCC(N=C=S)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.41
ALOX15 P16050 1/20 0.32
CYP1B1 Q16678 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2313561 0.81 ALDH1A1 (0.38) ALOX15CYP1B1ALDH1A1
SCHEMBL19673987 0.76 APLNR (0.43) APLNR
SCHEMBL29265192 0.63 APLNR (0.59) APLNR
SCHEMBL289935 0.62
SCHEMBL6953544 0.59 PLAU (0.46) APLNR
SCHEMBL29433031 0.59 PLAU (0.46) APLNR
SCHEMBL6081194 0.58
SCHEMBL710256 0.58
SCHEMBL9839353 0.57
SCHEMBL11543558 0.57 DRD2 (0.42) APLNR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344613-A1 POLYTHIOUREA COMPOSITIONS AND METHODS OF USE EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2015-12-03 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 (1 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-20150344613-A1 POLYTHIOUREA COMPOSITIONS AND METHODS OF USE PNMT, SRM, PUF60 APLNR 1356/4885ALOX15 4253/4885CYP1B1 2304/4885

“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.