SCHEMBL14700727

SCHEMBL14700727

COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CC[C@@H](c3c(F)ccc(Cl)c3F)OC1=O)c1cc-2ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 19/20 1.00
▸ KLKB1 P03952 7/20 0.73
▸ F9 P00740 5/20 0.73
▸ F12 P00748 1/20 0.72
▸ PLAT P00750 1/20 0.72
▸ PROC P04070 1/20 0.72
▸ F7 P08709 1/20 0.72
▸ CTRB1 P17538 1/20 0.72
▸ CTRL P40313 1/20 0.72
▸ CTRB2 Q6GPI1 1/20 0.72
▸ CTRC Q99895 1/20 0.72

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
SCHEMBL14700909 1.00 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL14700796 1.00 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL15771241 0.94 F11 (0.89) F11KLKB1F9F12PLAT
SCHEMBL14700931 0.94 F11 (0.88) F11KLKB1F9F12PLAT
SCHEMBL20879279 0.94 F11 (0.88) F11KLKB1F9F12PLAT
SCHEMBL14700816 0.94 F11 (0.88) F11KLKB1F9F12PLAT
SCHEMBL14700928 0.93 F11 (0.86) F11KLKB1F9F12PLAT
SCHEMBL20879219 0.93 F11 (0.86) F11KLKB1F9F12PLAT
SCHEMBL20879265 0.93 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL14700731 0.93 F11 (1.00) F11KLKB1F9F12PLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070087-A1 INTERMEDIATES FOR THE SYNTHESIS OF CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-21 — — EP disclosed
EP-2739625-B1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-01-20 — — EP disclosed
US-9108981-B2 Cyclic P1 linkers as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-18 — — US disclosed
US-20150057262-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2015-02-26 — — US disclosed
US-8901115-B2 Cyclic P1 linkers as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 — — US disclosed
US-20140163002-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-12 — — US disclosed
WO-2013022814-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-14 — — 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 (2 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-20150057262-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS F11, F12, F13A1 F11 1/4885KLKB1 10/4885F9 13/4885
US-20140163002-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS F11, F12, F13A1 F11 1/4885KLKB1 10/4885F9 13/4885

“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.

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