SCHEMBL2824154

SCHEMBL2824154

Cc1c(-c2cccc(CO)c2)sc2ccc(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 8/20 0.56
▸ MAPT P10636 1/20 0.40
▸ PFKFB4 Q16877 3/20 0.38
▸ PFKFB3 Q16875 2/20 0.38
▸ FYN P06241 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ MAP2K4 P45985 1/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TRPC5 Q9UL62 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
SCHEMBL6076483 0.80 ROCK1 (0.72) ROCK1MAPTPFKFB4PFKFB3
SCHEMBL2826864 0.76 ROCK1 (0.56) ROCK1MAPTPFKFB4PFKFB3
SCHEMBL2825587 0.75 FFAR1 (0.59) —
SCHEMBL2824976 0.74 FFAR1 (0.48) —
SCHEMBL3939520 0.72 ROCK1 (1.00) ROCK1MAPTPFKFB4PFKFB3CYP2C9
SCHEMBL14311003 0.71 ROCK1 (0.76) ROCK1MAPT
SCHEMBL5094432 0.71 ROCK1 (0.76) ROCK1MAPT
SCHEMBL31083635 0.70 PRKCI (0.51) FYNMAP2K4PRKCICYP2C9NR4A2
SCHEMBL18004547 0.70 ROCK1 (0.48) ROCK1MAPTPFKFB4PFKFB3
SCHEMBL2023225 0.70 FFAR1 (0.47) FYNMRGPRX4MAP2K4PRKCICYP2C9

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 9 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-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 4251/4885MAPT 4214/4885PFKFB4 1990/4885

“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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