SCHEMBL1371965

SCHEMBL1371965

COc1cccc(N2CCN(CC(=O)NC(COCc3ccccc3)C(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.56
ALDH1A1 P00352 3/20 0.55
GFER P55789 2/20 0.54
MAPT P10636 4/20 0.53
LMNA P02545 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 2/20 0.50
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.49
DRD4 P21917 1/20 0.49

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
SCHEMBL1371962 1.00 S1PR1 (0.56) S1PR1ALDH1A1GFERMAPTLMNA
SCHEMBL27923642 0.96 GFER (0.58) S1PR1ALDH1A1GFERMAPTLMNA
SCHEMBL27923643 0.96 GFER (0.58) S1PR1ALDH1A1GFERMAPTLMNA
SCHEMBL1373143 0.95 MEN1 (0.61) S1PR1ALDH1A1GFERMAPTLMNA
SCHEMBL1373140 0.95 MEN1 (0.61) S1PR1ALDH1A1GFERMAPTLMNA
SCHEMBL1372470 0.94 S1PR1 (0.60) S1PR1ALDH1A1MAPTLMNAMEN1
SCHEMBL1372466 0.94 S1PR1 (0.60) S1PR1ALDH1A1MAPTLMNAMEN1
SCHEMBL1373826 0.92 S1PR1 (0.60) S1PR1ALDH1A1MAPTLMNAMEN1
SCHEMBL1373823 0.92 S1PR1 (0.60) S1PR1ALDH1A1MAPTLMNAMEN1
SCHEMBL1371771 0.89 S1PR1 (0.56) S1PR1ALDH1A1MAPTLMNAMEN1

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-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
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 WO 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 1/4885ALDH1A1 3599/4885GFER 2211/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885ALDH1A1 4114/4885GFER 3439/4885

“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.