SCHEMBL261291

SCHEMBL261291

C=CCOc1c(C)cc(C(=O)Cl)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CXCR5 P32302 1/20 0.36
PKM P14618 1/20 0.36
GLRA1 P23415 1/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL262782 0.85 SMN1; SMN2 (0.43) KDM4ETSHRGAASMN1; SMN2LMNA
SCHEMBL4096065 0.83 TSHR (0.44) KDM4ETSHRSMN1; SMN2LMNAPTGS1
Hydrochloric Acid SCHEMBL261292 0.83 SMN1; SMN2 (0.43) KDM4ETSHRGAASMN1; SMN2LMNA
SCHEMBL26926134 0.82 LMNA (0.44) KDM4ETSHRGAASMN1; SMN2HSD17B10
SCHEMBL14845471 0.82 KDM4E (0.38) KDM4ETSHRGAASMN1; SMN2HSD17B10
SCHEMBL6018683 0.81 MEN1 (0.45) KDM4ETSHRGAASMN1; SMN2HSD17B10
SCHEMBL19815469 0.81 KDM4E (0.46) KDM4ETSHRGAASMN1; SMN2HSD17B10
SCHEMBL20543421 0.81 KDM4E (0.37) KDM4EGAASMN1; SMN2PTGS1PTGS2
SCHEMBL262849 0.81 KDM4E (0.44) KDM4ETSHRGAASMN1; SMN2HSD17B10
SCHEMBL2357873 0.80 TSHR (0.38) KDM4ETSHRGAASMN1; SMN2HSD17B10

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-2069318-B1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-09-12 EP disclosed
EP-2069322-B1 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-09-12 EP disclosed
US-8133910-B2 Thiophene derivatives as S1P1/EDGE1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US disclosed
US-8044076-B2 Phenyl derivatives and their use as immunomodulators ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-25 US disclosed
US-20100087495-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-08 US disclosed
US-20100048648-A1 Thiophene derivatives as S1P1/EDGE1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-25 US disclosed
EP-2069322-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
EP-2069318-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008035239-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-27 WO disclosed
WO-2008029306-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 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-20100048648-A1 Thiophene derivatives as S1P1/EDGE1 receptor agonists S1PR1, S1PR3, S1PR2 KDM4E 1389/4885TSHR 325/4885GAA 4812/4885
US-20100087495-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS IL2, CD47, CD74 KDM4E 855/4885TSHR 2492/4885GAA 1236/4885

“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.