SCHEMBL1371590

SCHEMBL1371590

N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.62
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
LTA4H P09960 7/20 0.51
FAAH O00519 1/20 0.46
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ADRA2B P18089 1/20 0.45
HTR2C P28335 1/20 0.45
P2RX3 P56373 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
P2RX4 Q99571 1/20 0.45
P2RX7 Q99572 1/20 0.45

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
SCHEMBL1371594 1.00 S1PR1 (0.62) S1PR1FNTAFNTBLTA4HFAAH
SCHEMBL1372249 0.90 S1PR1 (0.58) S1PR1FNTAFNTBLTA4H
SCHEMBL1372246 0.90 S1PR1 (0.58) S1PR1FNTAFNTBLTA4H
SCHEMBL1372073 0.90 S1PR1 (0.62) S1PR1LTA4H
SCHEMBL1372071 0.90 S1PR1 (0.62) S1PR1LTA4H
SCHEMBL1373113 0.87 MITF (0.51) S1PR1LTA4H
SCHEMBL1373110 0.87 MITF (0.51) S1PR1LTA4H
SCHEMBL1373947 0.84 LTA4H (0.56) S1PR1LTA4H
SCHEMBL1373748 0.84 LTA4H (0.56) S1PR1FNTAFNTBLTA4H
SCHEMBL1373951 0.84 LTA4H (0.56) S1PR1LTA4H

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-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
CN-102256944-A Sphingosine-1-phosphate receptor antagonists EXELIXIS INC 2011-11-23 CN 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 1/4885FNTA 1554/4885FNTB 1049/4885

“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.