SCHEMBL1950558

SCHEMBL1950558

CS(=O)(=O)Nc1cccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc(-c4noc(=O)[nH]4)cc3)C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.52
RARA P10276 1/20 0.40
FPR2 P25090 1/20 0.38
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37
ATM Q13315 2/20 0.37
CCKBR P32239 2/20 0.37
F11 P03951 1/20 0.36
KLKB1 P03952 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
SCHEMBL1950050 0.91 F9 (0.54) F9RARACPT1ACPT1BCCKBR
SCHEMBL1947621 0.90 F9 (0.56) F9RARACCKBRF11KLKB1
SCHEMBL1949868 0.89 F9 (0.51) F9RARACPT1ACPT1BCCKBR
SCHEMBL1948276 0.88 F9 (0.60) F9RARACCKBRF11KLKB1
Hydrochloric Acid SCHEMBL1948787 0.87 F9 (0.54) F9RARACCKBRF11KLKB1
SCHEMBL7902685 0.87 F9 (0.52) F9RARACCKBRF11KLKB1
SCHEMBL12547284 0.87 F9 (0.52) F9RARACCKBRF11KLKB1
SCHEMBL1947238 0.86 F9 (0.51) F9RARACPT1ACPT1BCCKBR
SCHEMBL1944341 0.86 F9 (0.52) F9RARACPT1ACPT1BATM
SCHEMBL7903203 0.85 F9 (0.51) F9RARACPT1ACPT1BCCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 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 (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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885RARA 2636/4885FPR2 1681/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885RARA 2636/4885FPR2 1681/4885

“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.