SCHEMBL8869646

SCHEMBL8869646

O=C(O)C(Cc1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
EPHX1 P07099 1/20 0.51
P4HTM Q9NXG6 1/20 0.49
ACP3 P15309 1/20 0.47
PPARA Q07869 5/20 0.47
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
CYP1A2 P05177 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
PPARG P37231 3/20 0.45
ADRB3 P13945 2/20 0.44
LMNA P02545 1/20 0.44
CCKAR P32238 1/20 0.44
ADRB2 P07550 1/20 0.44

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
SCHEMBL15552555 0.94 MEN1 (0.60) MEN1KMT2AEPHX1ACP3PPARA
SCHEMBL22394811 0.90 MEN1 (0.56) MEN1KMT2AEPHX1P4HTMPPARA
SCHEMBL9109356 0.88 MEN1 (0.55) MEN1KMT2AITGB1ITGA4CYP1A2
SCHEMBL9109693 0.88 MEN1 (0.55) MEN1KMT2APPARAITGB1ITGA4
SCHEMBL28605536 0.88 EPHX1 (0.71) MEN1KMT2AEPHX1ACP3TP53
SCHEMBL29610281 0.88 EPHX1 (0.71) MEN1KMT2AEPHX1ACP3TP53
SCHEMBL9110049 0.87 MEN1 (0.53) MEN1KMT2AACP3ADRB3CCKAR
SCHEMBL27923790 0.85 MEN1 (0.55) MEN1KMT2AACP3PPARAPPARG
SCHEMBL15058103 0.84 MEN1 (0.61) MEN1KMT2AACP3PPARATP53
SCHEMBL6366829 0.83 MEN1 (0.67) MEN1KMT2AACP3LMNACCKAR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646027-B1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP disclosed
US-8697733-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-04-15 US disclosed
US-20130338195-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. 2013-12-19 US disclosed
US-8492410-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-23 US disclosed
US-20130150411-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-13 US disclosed
US-8399492-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-03-19 US disclosed
US-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-5599966-A SUITABLE FOR TREATMENT OF DISEASES OF RESPIRATORY PASSAGES BYK NEDERLAND BV (NL) 1997-02-04 US disclosed
EP-0664788-A1 SUBSTITUTED ETHANOLAMINE ESTERS Byk Nederland BV (NL) 1995-08-02 EP disclosed
WO-1994008945-A1 SUBSTITUTED ETHANOLAMINE ESTERS BYK NEDERLAND BV (NL) 1994-04-28 WO disclosed
CN-1015622-B Hydrogenated cinnamic acid derivative and its method for making HOFFMANN LA ROCHE (CH) 1992-02-26 CN disclosed
CN-1036952-A Hydrogenated cinnamic acid derivative and its method for making HOFFMANN LA ROCHE (CH) 1989-11-08 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 (3 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-20130150411-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 MEN1 3719/4885KMT2A 4068/4885EPHX1 1412/4885
US-20130338195-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 MEN1 3719/4885KMT2A 4068/4885EPHX1 1412/4885
US-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 MEN1 3719/4885KMT2A 4068/4885EPHX1 1412/4885

“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.