SCHEMBL1174485

SCHEMBL1174485

Cc1cc(C(=N)NO)cc(Cl)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
TTR P02766 2/20 0.35
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
ALOX5 P09917 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
RECQL P46063 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
DHODH Q02127 1/20 0.31
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL8121970 0.86 TTR (0.46) HSD17B10ALDH1A1ALOX15HTTTTR
SCHEMBL261652 0.86 CA1 (0.44) ALDH1A1GAATTRPTGS1PTGS2
SCHEMBL2064624 0.80 PRSS1 (0.32) ALDH1A1GAATSHRCYP3A4
SCHEMBL16706131 0.78 PRSS1 (0.37)
SCHEMBL2290850 0.77 MEN1 (0.51) HSD17B10ALDH1A1PKMPTGS2ALOX5
SCHEMBL2064763 0.76 EGFR (0.44) ALDH1A1GAAPKMPTGS1PTGS2
SCHEMBL6326507 0.76 CHRNA1 (0.44) ALDH1A1GAACYP3A4HPGD
SCHEMBL4585688 0.76 TSHR (0.49) TSHRCYP3A4MAOA
SCHEMBL261786 0.75 ESR1 (0.35) GAAPTGS1PTGS2ALOX5CA1
SCHEMBL31591619 0.75 CA1 (0.35) ALDH1A1GAAHTTCYP3A4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976512-B1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
EP-1976512-B1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
US-9133179-B2 2-methoxy-pyridin-4-yl-derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2015-09-15 US disclosed
EP-2665720-B1 2-METHOXY-PYRIDIN-4-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-10 EP disclosed
US-8658675-B2 Pyridin-4-yl derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-02-25 US disclosed
EP-2125797-B1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-15 EP disclosed
EP-2665720-A1 2-METHOXY-PYRIDIN-4-YL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2013-11-27 EP disclosed
US-8592460-B2 Amino-pyridine derivatives as S1P1 /EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-26 US disclosed
US-20130303514-A1 2-METHOXY-PYRIDIN-4-YL-DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-14 US disclosed
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
WO-2009109904-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
WO-2009109872-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
WO-2009074950-A2 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2009-06-18 WO disclosed
EP-2069336-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
EP-1976512-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-10-08 EP disclosed
WO-2008114157-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-09-25 WO disclosed
WO-2008029371-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2008029371-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2007080542-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-07-19 WO disclosed
WO-2007080542-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-07-19 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 (1 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-20130303514-A1 2-METHOXY-PYRIDIN-4-YL-DERIVATIVES CD4, IL2, IL4 HSD17B10 4140/4885ALDH1A1 797/4885ALOX15 1776/4885

“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.