SCHEMBL1373034

SCHEMBL1373034

O=C(CN1CC=CC1)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.64
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
TACR2 P21452 2/20 0.44
UGCG Q16739 1/20 0.43
TAOK1 Q7L7X3 1/20 0.42
TAOK3 Q9H2K8 1/20 0.42
CCKBR P32239 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1373031 1.00 S1PR1 (0.64) S1PR1FNTAFNTBTACR2UGCG
SCHEMBL1372404 0.91 S1PR1 (0.64) S1PR1TACR2MEN1ALDH1A1GLA
SCHEMBL1372408 0.91 S1PR1 (0.64) S1PR1TACR2MEN1ALDH1A1GLA
SCHEMBL1372463 0.90 S1PR1 (0.63) S1PR1TACR2UGCGTAOK1TAOK3
SCHEMBL1372390 0.90 S1PR1 (0.63) S1PR1TACR2MEN1ALDH1A1GLA
SCHEMBL1372392 0.90 S1PR1 (0.63) S1PR1TACR2MEN1ALDH1A1GLA
SCHEMBL1372461 0.90 S1PR1 (0.63) S1PR1TACR2UGCGTAOK1TAOK3
SCHEMBL13392746 0.90 S1PR1 (0.63) S1PR1TACR2MEN1ALDH1A1GLA
SCHEMBL12044677 0.89 S1PR1 (0.61) S1PR1TACR2MEN1ALDH1A1GLA
SCHEMBL1372459 0.89 S1PR1 (0.63) S1PR1TACR2UGCGMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802692-B2 Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents EXELIXIS, INC. (US) 2014-08-12 US claimed
CN-102245174-B Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents EXELIXIS INC 2013-11-06 CN claimed
US-8802692-B2 Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents EXELIXIS, INC. (US) 2014-08-12 US disclosed
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-20110301188-A1 Synergistic Effects Between Sphingosine-1-Phosphate Receptor Antagonists and Antimicrotubule Agents EXELIXIS, INC. (US) 2011-12-08 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 (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-20110301188-A1 Synergistic Effects Between Sphingosine-1-Phosphate Receptor Antagonists and Antimicrotubule Agents S1PR1, S1PR3, S1PR2 S1PR1 1/4885FNTA 1551/4885FNTB 1309/4885
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.