SCHEMBL1372470

SCHEMBL1372470

O=C(CN1CCN(c2ccccc2)CC1)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.60
MAPT P10636 3/20 0.58
LMNA P02545 3/20 0.58
ALDH1A1 P00352 2/20 0.57
HTT P42858 1/20 0.57
REV1 Q9UBZ9 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
RAB9A P51151 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
SCHEMBL1372466 1.00 S1PR1 (0.60) S1PR1MAPTLMNAALDH1A1HTT
SCHEMBL1373823 0.98 S1PR1 (0.60) S1PR1MAPTLMNAALDH1A1HTT
SCHEMBL1373826 0.98 S1PR1 (0.60) S1PR1MAPTLMNAALDH1A1HTT
SCHEMBL1373140 0.94 MEN1 (0.61) S1PR1MAPTLMNAALDH1A1HTT
SCHEMBL1373143 0.94 MEN1 (0.61) S1PR1MAPTLMNAALDH1A1HTT
SCHEMBL1371962 0.94 S1PR1 (0.56) S1PR1MAPTLMNAALDH1A1HTT
SCHEMBL1371965 0.94 S1PR1 (0.56) S1PR1MAPTLMNAALDH1A1HTT
SCHEMBL1374346 0.93 S1PR1 (0.55) S1PR1MAPTLMNAALDH1A1HTT
SCHEMBL1374350 0.93 S1PR1 (0.55) S1PR1MAPTLMNAALDH1A1HTT
SCHEMBL1372408 0.91 S1PR1 (0.64) S1PR1LMNAALDH1A1MEN1KMT2A

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
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
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 1/4885MAPT 2436/4885LMNA 4381/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885MAPT 4150/4885LMNA 3406/4885

“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.