SCHEMBL2105166

SCHEMBL2105166

COC(=O)Nc1ccc(-c2cc(C(Cc3ccccc3)NC(=O)[C@H]3CC[C@H](CN)CC3)ncn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 1.00
KLKB1 P03952 1/20 0.78
PRSS1 P07477 1/20 0.78
PRSS2 P07478 1/20 0.78
PRSS3 P35030 1/20 0.78

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
SCHEMBL2105167 1.00 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2107862 0.89 F11 (1.00) F11KLKB1
SCHEMBL2332723 0.88 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2105118 0.87 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2105120 0.87 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL4786853 0.85 F11 (0.75) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL3176860 0.82 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2107197 0.81 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL2107198 0.81 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL5270842 0.81 F11 (0.92) F11KLKB1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US claimed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US claimed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US disclosed
EP-1966141-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-09-10 EP disclosed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO 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-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 F11 2/4885KLKB1 18/4885PRSS1 21/4885

“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.