SCHEMBL1373293

SCHEMBL1373293

Cc1n[nH]c(C)c1CC(=O)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.66
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
P2RX7 Q99572 2/20 0.42
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 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
SCHEMBL1373291 1.00 S1PR1 (0.66) S1PR1MMP1MMP3P2RX7TAOK1
SCHEMBL1371938 0.96 S1PR1 (0.60) S1PR1P2RX7
SCHEMBL1371933 0.96 S1PR1 (0.60) S1PR1P2RX7
SCHEMBL1371804 0.86 S1PR1 (0.73) S1PR1MMP1MMP3TAOK1TAOK3
SCHEMBL1371808 0.86 S1PR1 (0.73) S1PR1MMP1MMP3TAOK1TAOK3
SCHEMBL1371920 0.85 S1PR1 (0.64) S1PR1P2RX7TAOK1TAOK3
SCHEMBL1371923 0.85 S1PR1 (0.64) S1PR1P2RX7TAOK1TAOK3
SCHEMBL1372397 0.85 S1PR1 (0.75) S1PR1TAOK1TAOK3
SCHEMBL1372399 0.85 S1PR1 (0.75) S1PR1TAOK1TAOK3
SCHEMBL13393039 0.83 S1PR1 (0.67) 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 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 1/4885MMP1 4316/4885MMP3 3593/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885MMP1 4290/4885MMP3 2235/4885

“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.