SCHEMBL1026486

SCHEMBL1026486

CC(=O)c1ccc(C)c(N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP2A6 P11509 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
CRHR1 P34998 1/20 0.36
MEN1 O00255 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HSD17B1 P14061 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
SCHEMBL1027496 0.87 CRHR1 (0.39) ALDH1A1CYP2A6TDP1PKMHSD17B10
SCHEMBL1025222 0.85 ALDH1A1 (0.46) ALDH1A1TDP1HSD17B10SMN1; SMN2KMT2A
SCHEMBL1025871 0.81 ALDH1A1 (0.46) ALDH1A1CYP2A6TDP1POLBSMN1; SMN2
SCHEMBL1027037 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2AMAOAMAPT
SCHEMBL15178902 0.80 ALDH1A1 (0.70) ALDH1A1CYP2A6PKMPOLBSMN1; SMN2
SCHEMBL1024145 0.80 AHCY (0.40) ALDH1A1TDP1PKMPOLBSMN1; SMN2
SCHEMBL27812464 0.80 HSD17B10 (0.41) ALDH1A1TDP1PKMHSD17B10POLB
SCHEMBL11077684 0.79 SMN1; SMN2 (0.44) ALDH1A1TDP1SMN1; SMN2
SCHEMBL1029069 0.79 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2KMT2ANPC1
SCHEMBL1027697 0.78 MEN1 (0.46) ALDH1A1TDP1POLBSMN1; SMN2KMT2A

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 12 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
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
WO-2011043479-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION 田辺三菱製薬株式会社 (JP) 2011-04-14 WO disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 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 ALDH1A1 180/4885CYP2A6 3968/4885TDP1 4245/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ALDH1A1 600/4885CYP2A6 838/4885TDP1 744/4885

“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.