SCHEMBL1027352

SCHEMBL1027352

CCOC(=O)c1csc(-c2ccc(NCC(=O)N(CCN(CC)C(=O)OC(C)(C)C)CC(=O)N(C)N3Cc4ccccc4C3)c(C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
CLK1 P49759 1/20 0.38
GAA P10253 1/20 0.34
ACKR3 P25106 6/20 0.33
AHCY P23526 1/20 0.33
HPGDS O60760 1/20 0.33
ROCK2 O75116 1/20 0.32
CHEK1 O14757 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ATM Q13315 1/20 0.31
CYP19A1 P11511 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ABCB1 P08183 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
SCHEMBL1028450 0.87 CDC7 (0.35) ACKR3AHCY
Hydrochloric Acid SCHEMBL1025216 0.87 RAB9A (0.40) RAB9ANPC1CLK1GAAAHCY
SCHEMBL1028118 0.87 AHCY (0.34) RAB9AACKR3AHCY
SCHEMBL1025137 0.86 ALDH1A1 (0.36) ACKR3AHCYPOLB
SCHEMBL1027676 0.82 AHCY (0.38) ACKR3AHCY
SCHEMBL1028183 0.81 AHCY (0.34) ACKR3AHCY
SCHEMBL1028324 0.81 AHCY (0.37) ACKR3AHCYKMT2A
SCHEMBL1029954 0.81 AHCY (0.33) ACKR3AHCY
SCHEMBL1027698 0.81 AHCY (0.34) ACKR3AHCY
SCHEMBL1026786 0.80 ACKR3 (0.33) ACKR3AHCY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 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 (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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 RAB9A 1221/4885NPC1 450/4885CLK1 3870/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 RAB9A 3994/4885NPC1 1230/4885CLK1 3669/4885

“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.