SCHEMBL4961892

SCHEMBL4961892

CO[C@@H]1C[C@H](C(=O)N(F)c2ccc(-n3ccccc3=O)cc2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.48
▸ F10 P00742 8/20 0.45
▸ PARP1 P09874 1/20 0.33
▸ GPR119 Q8TDV5 2/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ HTRA1 Q92743 1/20 0.32
▸ AR P10275 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ TACR1 P25103 1/20 0.31

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
SCHEMBL4496276 0.88 UCHL1 (0.36) UCHL1F10GPR119NR1H2NR1H3
SCHEMBL13780947 0.81 F10 (0.61) UCHL1F10
SCHEMBL3828770 0.81 UCHL1 (0.46) UCHL1F10GPR119NR1H2NR1H3
SCHEMBL3828779 0.81 UCHL1 (0.44) UCHL1F10
SCHEMBL4497009 0.79 F10 (0.51) F10
SCHEMBL4492699 0.78 F10 (0.41) F10SYK
SCHEMBL4961883 0.77 F10 (0.70) F10
SCHEMBL3696448 0.77 MEN1 (0.36) F10GPR119NR1H2SYK
SCHEMBL4598458 0.77 F10 (0.35) F10SYK
SCHEMBL4599382 0.77 HDAC8 (0.35) F10SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194643-A1 Factor Xa Inhibitor Crystalline Forms PFZER INC 2008-08-14 — — US disclosed
EP-1891044-A1 CRYSTALLINE FORMS OF A KNOWN PYRROLIDINE FACTOR XA INHIBITOR Warner-Lambert Company LLC (US) 2008-02-27 — — EP disclosed
WO-2006100565-A1 CRYSTALLINE FORMS OF A KNOWN PYRROLIDINE FACTOR XA INHIBITOR WARNER-LAMBERT COMPANY LLC (US) 2006-09-28 — — 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-20080194643-A1 Factor Xa Inhibitor Crystalline Forms F2, F12, F2R UCHL1 4051/4885F10 17/4885PARP1 1803/4885

“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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