SCHEMBL1375617

SCHEMBL1375617

O=C(Cc1c[nH]cn1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.72
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
HDAC8 Q9BY41 1/20 0.43
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
JAK2 O60674 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2C P28335 1/20 0.39
P2RX3 P56373 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL1375620 1.00 S1PR1 (0.72) S1PR1FNTAFNTBHDAC8TAOK1
SCHEMBL12044755 0.93 S1PR1 (0.72) S1PR1HDAC8TAOK1TAOK3JAK2
SCHEMBL12044374 0.90 S1PR1 (0.66) S1PR1TAOK1TAOK3
SCHEMBL1373398 0.90 S1PR1 (0.62) S1PR1HDAC8
SCHEMBL1373400 0.90 S1PR1 (0.62) S1PR1HDAC8
SCHEMBL12044373 0.88 S1PR1 (0.68) S1PR1TAOK1TAOK3JAK2
SCHEMBL1375735 0.88 S1PR1 (0.68) S1PR1HDAC8TAOK1TAOK3
SCHEMBL12044664 0.88 S1PR1 (0.71) S1PR1FNTAFNTBTAOK1TAOK3
SCHEMBL1375738 0.88 S1PR1 (0.68) S1PR1HDAC8TAOK1TAOK3
SCHEMBL1373095 0.87 S1PR1 (0.70) S1PR1TAOK1TAOK3

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 8 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
US-8802692-B2 Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents EXELIXIS, INC. (US) 2014-08-12 US disclosed
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-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
CN-102245174-B Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents EXELIXIS INC 2013-11-06 CN 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.