SCHEMBL2814523

SCHEMBL2814523

CC(C)N(C)c1cc(C(=O)O)cc(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.39
TPMT P51580 2/20 0.37
ALOX15 P16050 2/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLP1R P43220 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
CTRC Q99895 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
HCAR3 P49019 1/20 0.32

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
SCHEMBL30227870 0.86 BRD4 (0.36) ALDH1A1SMN1; SMN2GLP1RHRH4
SCHEMBL21990686 0.86 BRD4 (0.36) ALDH1A1SMN1; SMN2GLP1RHRH4
SCHEMBL898570 0.83 TTR (0.44) TTRTPMTALOX15TSHRHIF1A
SCHEMBL1424746 0.82 TPMT (0.38) TTRTPMTALOX15TSHRHIF1A
SCHEMBL3346038 0.82 TTR (0.35) TTRTPMTALOX15TSHRHIF1A
SCHEMBL2812916 0.82 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL899209 0.81 TTR (0.42) TTRTPMTALOX15TSHRHIF1A
SCHEMBL2810835 0.80 CA12 (0.43) ALDH1A1SMN1; SMN2GLP1RMEN1KMT2A
SCHEMBL2021183 0.79 TTR (0.38) TTRTPMTALOX15TSHRHIF1A
SCHEMBL1424988 0.78 HCAR3 (0.39) TPMTALOX15TSHRHIF1AALDH1A1

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 10 patents. 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-8592460-B2 Amino-pyridine derivatives as S1P1 /EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-26 US disclosed
WO-2010117662-A1 MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2010-10-14 WO disclosed
WO-2010117662-A1 MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2010-10-14 WO disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 US disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 US disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 US disclosed
US-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-08 US disclosed
EP-2125797-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008114157-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-09-25 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-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR4 TTR 4577/4885TPMT 3023/4885ALOX15 1671/4885
US-20100249071-A1 Modulators of S1P and Methods of Making And Using S1PR5, S1PR1, S1PR2 TTR 4357/4885TPMT 1067/4885ALOX15 83/4885

“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.