SCHEMBL29339704

SCHEMBL29339704

CC(C)n1nc(COc2ccccc2CC(=O)O)c2cc(-c3cccc(C(=N)N)c3F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFD P00746 14/20 0.46
TPSB2 P20231 8/20 0.39
F11 P03951 7/20 0.39
ICMT O60725 3/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
KLKB1 P03952 1/20 0.37
F7 P08709 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL29339702 0.92 CFD (0.40) CFDTPSB2F11ICMTPTGER1
SCHEMBL29340256 0.91 CFD (0.43) CFDICMT
SCHEMBL29339682 0.90 ICMT (0.40) CFDTPSB2F11ICMTPTGER1
SCHEMBL23219260 0.90 CFD (0.49) CFDTPSB2F11ICMTPTGER1
SCHEMBL29591431 0.90 CFD (0.49) CFDTPSB2F11ICMTPTGER1
SCHEMBL29339695 0.89 CFD (0.39) CFDTPSB2F11ICMTPTGER1
SCHEMBL29339698 0.89 CFD (0.39) CFDTPSB2F11ICMTPTGER1
SCHEMBL29339634 0.86 CFD (0.41) CFDTPSB2F11ICMTPLG
SCHEMBL31018914 0.85 CFD (0.41) CFDTPSB2F11ICMTPLG
SCHEMBL29339676 0.85 CFD (0.41) CFDTPSB2F11ICMTPLG

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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 CFD 3529/4885TPSB2 39/4885F11 1832/4885

“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.