SCHEMBL29338792

SCHEMBL29338792

CCCN(CCC)CCS(=O)(=O)Nc1cc(C(C)(C)C)cnc1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.39
PIK3CA P42336 5/20 0.38
BRD4 O60885 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
PTGES2 Q9H7Z7 2/20 0.32
PTGS1 P23219 2/20 0.31
CYP17A1 P05093 1/20 0.30
PTGS2 P35354 1/20 0.30
HTR1D P28221 1/20 0.30

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
SCHEMBL17996190 0.83 BRD4 (0.40) PIK3C3PIK3CABRD4ALDH1A1HSD17B10
SCHEMBL18595671 0.76 CYP17A1 (0.41) PIK3C3PIK3CAALDH1A1HSD17B10KDM4E
SCHEMBL24609148 0.74 PIK3C3 (0.44) PIK3C3PIK3CAALDH1A1KDM4ETRPV1
SCHEMBL19728988 0.72 PIK3CD (0.40) PIK3C3PIK3CAALDH1A1PTGES2
SCHEMBL17996189 0.69 PSIP1 (0.42) BRD4ALDH1A1HSD17B10HPGDTRPV1
SCHEMBL19257097 0.68 CYP17A1 (0.39) PIK3C3PIK3CAALDH1A1HSD17B10CYP17A1
SCHEMBL17946248 0.66 HPGD (0.42) PIK3CAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL18595669 0.65 BRD4 (0.44) PIK3C3PIK3CABRD4ALDH1A1HSD17B10
SCHEMBL20578655 0.64 PIK3C3 (0.38) PIK3C3KDM4EMAPTTRPV1
SCHEMBL18595668 0.63 CYP17A1 (0.39) ALDH1A1HSD17B10PTGES2CYP17A1

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-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 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-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 PIK3C3 32/4885PIK3CA 8/4885BRD4 1739/4885

“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.