SCHEMBL392472

SCHEMBL392472

NC[C@H]1CC[C@H](C(=O)NC(Cc2cccc(OC(F)F)c2)c2nc(-c3ccc4c(N)n[nH]c4c3)c[nH]2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.64
KLKB1 P03952 7/20 0.61
F7 P08709 3/20 0.61
PRSS1 P07477 3/20 0.61
PRSS2 P07478 3/20 0.61
PRSS3 P35030 3/20 0.61
F10 P00742 2/20 0.61
F12 P00748 2/20 0.61
PLG P00747 1/20 0.61
KLK1 P06870 1/20 0.61

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
SCHEMBL5106013 0.92 F11 (0.68) F11KLKB1F7PRSS1PRSS2
SCHEMBL5106016 0.92 F11 (0.68) F11KLKB1F7PRSS1PRSS2
SCHEMBL27692640 0.90 F11 (0.67) F11KLKB1F7PRSS1PRSS2
SCHEMBL6404189 0.90 F11 (0.67) F11KLKB1F7PRSS1PRSS2
SCHEMBL6404186 0.90 F11 (0.67) F11KLKB1F7PRSS1PRSS2
SCHEMBL394684 0.90 F11 (0.74) F11KLKB1F7PRSS1PRSS2
SCHEMBL27674024 0.90 F11 (0.74) F11KLKB1F7PRSS1PRSS2
SCHEMBL6409535 0.90 F11 (0.74) F11KLKB1F7PRSS1PRSS2
SCHEMBL394683 0.90 F11 (0.74) F11KLKB1F7PRSS1PRSS2
SCHEMBL6409591 0.88 F11 (0.74) F11KLKB1F7PRSS1PRSS2

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-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 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-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 F11 2/4885KLKB1 21/4885F7 10/4885

“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.