SCHEMBL29339682

SCHEMBL29339682

COc1c(C(=N)N)cccc1-c1ccc2c(c1)c(COc1ccccc1CC(=O)O)nn2C(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ICMT O60725 8/20 0.40
CFD P00746 10/20 0.39
TPSB2 P20231 7/20 0.39
F11 P03951 6/20 0.39
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 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
F7 P08709 1/20 0.36
P2RX3 P56373 1/20 0.36

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
SCHEMBL29339695 0.93 CFD (0.39) ICMTCFDTPSB2F11PTGER1
SCHEMBL29339698 0.93 CFD (0.39) ICMTCFDTPSB2F11PTGER1
SCHEMBL29340323 0.91 CFD (0.42) ICMTCFDP2RX3
SCHEMBL29339702 0.91 CFD (0.40) ICMTCFDTPSB2F11PTGER1
SCHEMBL29339704 0.90 CFD (0.46) ICMTCFDTPSB2F11PTGER1
SCHEMBL23218830 0.89 CFD (0.42) ICMTCFDTPSB2F11PTGER1
SCHEMBL29592627 0.89 CFD (0.42) ICMTCFDTPSB2F11PTGER1
SCHEMBL29339668 0.89 ICMT (0.38) ICMTCFDTPSB2F11PLG
SCHEMBL31018914 0.88 CFD (0.41) ICMTCFDTPSB2F11PLG
SCHEMBL29339676 0.88 CFD (0.41) ICMTCFDTPSB2F11PLG

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 ICMT 4826/4885CFD 3529/4885TPSB2 39/4885

“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.