SCHEMBL1372156

SCHEMBL1372156

Cc1cc(F)ccc1Oc1ccc(NC(=O)[C@@H]2C[C@@H](Cc3ccc(F)cc3)CN2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.43
CYP2C9 P11712 5/20 0.43
F2 P00734 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
CYP2D6 P10635 5/20 0.41
CYP3A4 P08684 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
FPR2 P25090 1/20 0.38
EGFR P00533 1/20 0.38
SCN8A Q9UQD0 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
MET P08581 1/20 0.38
AXL P30530 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SSTR4 P31391 1/20 0.37

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
SCHEMBL1373946 0.88 S1PR1 (0.52) S1PR1CYP2C9F2CYP2D6CYP3A4
SCHEMBL1374373 0.88 S1PR1 (0.49) S1PR1CYP2C9F2CYP2D6CYP3A4
SCHEMBL2173417 0.88 S1PR1 (0.49) S1PR1CYP2C9F2CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL1375216 0.87 S1PR1 (0.52) S1PR1CYP2C9F2CYP2D6CYP3A4
SCHEMBL1372379 0.87 S1PR1 (0.45) S1PR1CYP2C9F2CYP2D6CYP3A4
SCHEMBL2170540 0.86 F2 (0.41) S1PR1CYP2C9F2CYP2D6CYP3A4
SCHEMBL1372386 0.86 F2 (0.41) S1PR1CYP2C9F2CYP2D6CYP3A4
SCHEMBL1375598 0.84 S1PR1 (0.49) S1PR1CYP2C9F2CYP2D6CYP3A4
SCHEMBL1371656 0.83 S1PR1 (0.53) S1PR1CYP2C9F2CYP2D6CYP3A4
SCHEMBL1371552 0.83 S1PR1 (0.48) S1PR1CYP2C9F2CYP2D6CYP3A4

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-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 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-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885CYP2C9 4875/4885F2 4544/4885

“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.