SCHEMBL4859517

SCHEMBL4859517

CSc1ccccc1C(Nc1cccc(Cl)c1Cl)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
MAPT P10636 8/20 0.58
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
CXCL8 P10145 2/20 0.44
LMNA P02545 4/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPK1 P28482 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL3176692 0.78 MEN1 (0.50) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4854150 0.76 MAPT (0.44) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11493912 0.72 MEN1 (0.51) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3879022 0.71 MEN1 (0.50) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL15568879 0.71 MEN1 (0.50) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL15568569 0.71 MEN1 (0.50) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3809816 0.71 MEN1 (0.39) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6855348 0.70 KMT2A (0.43) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11203494 0.69 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11203488 0.69 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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-7432296-B2 Pharmaceutical formulations containing substituted 2-aryl-aminoacetic acid compounds and/or substituted 2-heteroaryl-aminoacetic acid compounds GRUENENTHAL GMBH (DE) 2008-10-07 US disclosed
EP-1596856-B1 DRUGS CONTAINING SUBSTITUTED 2-ARYL-AMINOACETIC ACID COMPOUNDS AND/OR SUBSTITUTED 2-HETEROARYL-AMINOACETIC ACID COMPOUNDS GRUENENTHAL GMBH (DE) 2006-12-13 EP disclosed
US-20060035959-A1 Pharmaceutical formulations containing substituted 2-aryl-aminoacetic acid compounds and/or substituted 2-heteroaryl-aminoacetic acid compounds GRUENENTHAL GMBH (DE) 2006-02-16 US disclosed
EP-1596856-A2 DRUGS CONTAINING SUBSTITUTED 2-ARYL-AMINOACETIC ACID COMPOUNDS AND/OR SUBSTITUTED 2-HETEROARYL-AMINOACETIC ACID COMPOUNDS Grünenthal GmbH (DE) 2005-11-23 EP disclosed
WO-2004071381-A2 DRUGS CONTAINING SUBSTITUTED 2-ARYL-AMINOACETIC ACID COMPOUNDS AND/OR SUBSTITUTED 2-HETEROARYL-AMINOACETIC ACID COMPOUNDS Grünenthal GmbH (DE) 2004-08-26 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 (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-20060035959-A1 Pharmaceutical formulations containing substituted 2-aryl-aminoacetic acid compounds and/or substituted 2-heteroaryl-aminoacetic acid compounds AADAT, DDC, SLC1A2 MEN1 3332/4885KMT2A 461/4885MAPT 224/4885

“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.