SCHEMBL3483115

SCHEMBL3483115

[CH2]CN(C(=O)C(C)(C)C)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
ALDH1A1 P00352 5/20 0.48
TSHR P16473 2/20 0.48
GLA P06280 2/20 0.48
POLB P06746 1/20 0.45
TP53 P04637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PAX8 Q06710 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
JAK2 O60674 1/20 0.37

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
SCHEMBL17333657 0.83 MEN1 (0.76) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL4514025 0.77 MEN1 (0.49) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL17364386 0.76 MEN1 (0.75) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL10223247 0.75 SMN1; SMN2 (0.73) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL1416009 0.75 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL1068790 0.75 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL3483440 0.74 LTB4R2 (0.50) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL9611270 0.74 KMT2A (0.62) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL4719206 0.73 ADRA2C (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL3283283 0.72 KMT2A (0.60) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 US disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 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 (5 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R MEN1 4550/4885KMT2A 2733/4885SMN1; SMN2 4143/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 MEN1 4864/4885KMT2A 1597/4885SMN1; SMN2 4831/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 MEN1 4864/4885KMT2A 1597/4885SMN1; SMN2 4831/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 MEN1 537/4885KMT2A 3824/4885SMN1; SMN2 1037/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 MEN1 4864/4885KMT2A 1597/4885SMN1; SMN2 4831/4885

“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.