SCHEMBL1950224

SCHEMBL1950224

O=C(O)C[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[nH]2)c(F)c1)[C@H]1OCCN(c2ccc3ccc(=O)[nH]c3c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F9 P00740 10/20 0.41
TRPV1 Q8NER1 3/20 0.34
AKT1 P31749 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 2/20 0.30
F10 P00742 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL1947802 0.96 F9 (0.39) F9TRPV1
Ammonia Solution, Strong SCHEMBL1950693 0.89 F9 (0.51) F9TRPV1AKT1PIK3CDPIK3CA
SCHEMBL15103415 0.86 F9 (0.41) F9TRPV1AKT1PIK3CDPIK3CA
SCHEMBL1946989 0.85 F9 (0.36) F9TRPV1
Ammonia Solution, Strong SCHEMBL1445030 0.85 F9 (0.48) F9TRPV1
SCHEMBL15103680 0.82 F9 (0.39) F9TRPV1AKT1MTOR
SCHEMBL1950694 0.81 F9 (0.35) F9TRPV1AKT1PIK3CDPIK3CA
SCHEMBL1947412 0.77 F9 (0.33) F9TRPV1
SCHEMBL1949618 0.76 F9 (0.39) F9TRPV1
Ammonia Solution, Strong SCHEMBL1949006 0.73 F9 (0.46) F9

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-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885TRPV1 4740/4885AKT1 4310/4885

“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.