SCHEMBL1179043

SCHEMBL1179043

Cc1cc(C(=O)O)cc(N(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TPMT P51580 1/20 0.43
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
SLC2A1 P11166 1/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MAPK1 P28482 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TGM2 P21980 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL1424746 0.82 TPMT (0.38) MEN1KMT2ATPMTALOX15TSHR
SCHEMBL1425034 0.82 HCAR3 (0.39) MEN1KMT2ATPMTALOX15TSHR
SCHEMBL1179149 0.81 TPMT (0.56) TPMTALOX15TSHRHIF1AALDH1A1
SCHEMBL1424802 0.80 CRHR1 (0.43) KMT2ATPMTALOX15TSHRHIF1A
SCHEMBL23684074 0.79 ALOX15 (0.41) MEN1KMT2ATPMTALOX15TSHR
SCHEMBL898570 0.79 TTR (0.44) MEN1KMT2ATPMTALOX15TSHR
Hydrochloric Acid SCHEMBL1179035 0.79 TPMT (0.54) TPMTALOX15TSHRHIF1AALDH1A1
Hydrochloric Acid SCHEMBL11078337 0.79 TPMT (0.54) TPMTALOX15TSHRHIF1AALDH1A1
Hydrochloric Acid SCHEMBL1425014 0.79 CRHR1 (0.42) KMT2ATPMTALOX15TSHRHIF1A
SCHEMBL1424834 0.79 ESR1 (0.41) KMT2ATPMTALOX15TSHRHIF1A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125797-B1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-15 EP disclosed
US-8598208-B2 Pyridine derivatives as S1P1/EDG1 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-03 US disclosed
US-8592460-B2 Amino-pyridine derivatives as S1P1 /EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-26 US disclosed
CN-101627034-B amino-pyridine derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD 2013-05-15 CN disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-24 US disclosed
WO-2009109907-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 WO disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 WO disclosed
WO-2008114157-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-09-25 WO disclosed
EP-1032561-B1 SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2004-02-11 EP disclosed
CN-1122022-C Substituted oximes as neurokinin antagonists SCHERING CORP (US) 2003-09-24 CN disclosed
CN-1279670-A Substituted oximes as neurokinin antagonists SCHERING CORP (US) 2001-01-10 CN disclosed
EP-1032561-A1 SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 2000-09-06 EP disclosed
US-6063926-A HAVING GREATER BIOACTIVITY SCHERING CORPORATION (US) 2000-05-16 US disclosed
WO-1999026924-A1 SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1999-06-03 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-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES TYMP, DPYD, ENTPD5 MEN1 4570/4885KMT2A 3361/4885TPMT 5/4885
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 MEN1 1303/4885KMT2A 2397/4885TPMT 2385/4885

“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.