SCHEMBL1375937

SCHEMBL1375937

O=C(NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1cc2ccccc2o1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.61
SMN1; SMN2 Q16637 5/20 0.51
TP53 P04637 4/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.50
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
PTGER4 P35408 2/20 0.46

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
SCHEMBL12044878 0.85 S1PR1 (0.55) S1PR1SMN1; SMN2TP53MAPTNPC1
SCHEMBL15905749 0.83 S1PR1 (0.64) S1PR1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1376249 0.83 S1PR1 (0.64) S1PR1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1375217 0.83 S1PR1 (0.67) S1PR1SMN1; SMN2TP53MAPTNPC1
SCHEMBL2353153 0.83 S1PR1 (0.72) S1PR1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2171338 0.82 S1PR1 (0.60) S1PR1TAS1R3TAS1R1
SCHEMBL13392751 0.82 S1PR1 (0.73) S1PR1SMN1; SMN2NPC1RAB9A
SCHEMBL12044808 0.82 S1PR1 (0.73) S1PR1SMN1; SMN2MAPTRAB9A
SCHEMBL13393260 0.81 S1PR1 (0.61) S1PR1SMN1; SMN2TP53NPC1RAB9A
SCHEMBL15929207 0.80 S1PR1 (0.60) S1PR1MAPTMEN1KMT2A

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
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
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
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 1/4885SMN1; SMN2 1738/4885TP53 1340/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885SMN1; SMN2 3279/4885TP53 1838/4885

“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.