SCHEMBL2826864

SCHEMBL2826864

Cc1c(-c2cccc(C=O)c2)sc2ccc(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 7/20 0.56
▸ PFKFB4 Q16877 4/20 0.39
▸ PFKFB3 Q16875 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ NPY5R Q15761 1/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ DYRK2 Q92630 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ AKR1B1 P15121 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
SCHEMBL18002853 0.84 PFKFB4 (0.39) ROCK1PFKFB4BRD4NPY5RDYRK1A
SCHEMBL18002934 0.83 BRD4 (0.43) ROCK1PFKFB3BRD4
SCHEMBL6076483 0.80 ROCK1 (0.72) ROCK1PFKFB4PFKFB3KDM4ENPSR1
SCHEMBL18003395 0.77 ROCK1 (0.47) ROCK1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL2824154 0.76 ROCK1 (0.56) ROCK1PFKFB4PFKFB3MAPT
SCHEMBL18002979 0.74 ROCK1 (0.44) ROCK1PFKFB4
SCHEMBL1254005 0.72 ROCK1 (0.49) ROCK1PFKFB4PFKFB3KDM4ENPSR1
SCHEMBL3939520 0.72 ROCK1 (1.00) ROCK1PFKFB4PFKFB3KDM4ENPSR1
SCHEMBL5094432 0.71 ROCK1 (0.76) ROCK1KDM4ENPSR1L3MBTL1MAPT
SCHEMBL14311003 0.71 ROCK1 (0.76) ROCK1NPSR1L3MBTL1MAPTNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 — — EP disclosed
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 — — EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 — — EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 — — EP disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 — — US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 — — US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 — — US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 — — US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 — — US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 — — US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 — — EP 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-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 ROCK1 4251/4885PFKFB4 1990/4885PFKFB3 2117/4885

“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.

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