SCHEMBL1373753

SCHEMBL1373753

Cc1ccc(Oc2ccc(NC(=O)C(N)COCc3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.56
S1PR1 P21453 4/20 0.55
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL1373748 1.00 LTA4H (0.56) LTA4HS1PR1NPC1RAB9AFNTA
SCHEMBL1372073 0.93 S1PR1 (0.62) LTA4HS1PR1
SCHEMBL1372071 0.93 S1PR1 (0.62) LTA4HS1PR1
SCHEMBL1373951 0.91 LTA4H (0.56) LTA4HS1PR1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1373947 0.91 LTA4H (0.56) LTA4HS1PR1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1372249 0.88 S1PR1 (0.58) LTA4HS1PR1FNTAFNTB
SCHEMBL1371622 0.88 S1PR1 (0.58) LTA4HS1PR1FNTAFNTBALDH1A1
SCHEMBL1371620 0.88 S1PR1 (0.58) LTA4HS1PR1FNTAFNTBALDH1A1
SCHEMBL1372246 0.88 S1PR1 (0.58) LTA4HS1PR1FNTAFNTB
SCHEMBL1372965 0.85 LTA4H (0.75) LTA4HNPC1RAB9ASMN1; SMN2

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 LTA4H 1113/4885S1PR1 1/4885NPC1 318/4885

“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.