SCHEMBL1375873

SCHEMBL1375873

O=C(Cc1c[nH]c2ccc(F)cc12)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.67
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
ANO1 Q5XXA6 1/20 0.43
ICMT O60725 1/20 0.43
TGM2 P21980 1/20 0.43
KCNT1 Q5JUK3 1/20 0.43

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
SCHEMBL1375868 1.00 S1PR1 (0.67) S1PR1MEN1KMT2ATSHRANO1
SCHEMBL1372399 0.85 S1PR1 (0.75) S1PR1
SCHEMBL1372397 0.85 S1PR1 (0.75) S1PR1
SCHEMBL1376247 0.84 S1PR1 (0.66) S1PR1
SCHEMBL6287532 0.82 S1PR1 (0.54) S1PR1
SCHEMBL1375320 0.82 S1PR1 (0.60) S1PR1KCNT1
SCHEMBL15905740 0.82 S1PR1 (0.68) S1PR1
SCHEMBL1374455 0.82 S1PR1 (0.70) S1PR1MEN1KMT2A
SCHEMBL1374454 0.82 S1PR1 (0.70) S1PR1MEN1KMT2A
SCHEMBL13392750 0.82 S1PR1 (0.70) S1PR1MEN1KMT2A

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 7 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
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 (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 1/4885MEN1 1105/4885KMT2A 4096/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885MEN1 2389/4885KMT2A 3292/4885

“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.