SCHEMBL4857577

SCHEMBL4857577

O=C(O)C(Nc1cc(Cl)cc(Cl)c1)c1cccc2c1Sc1ccccc1S2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.34
EGFR P00533 1/20 0.34
XBP1 P17861 1/20 0.33
DHODH Q02127 1/20 0.33
PCTP Q9UKL6 2/20 0.33
BCHE P06276 1/20 0.33
ALOX5 P09917 1/20 0.33
MDM2 Q00987 1/20 0.32

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
SCHEMBL4859316 0.80 MEN1 (0.35) MAPTRAB9AMEN1KMT2ANPSR1
SCHEMBL7576844 0.73 ALDH1A1 (0.56) MAPTRAB9AMEN1KMT2ANPSR1
SCHEMBL4855970 0.73 ACLY (0.39) MAPTRAB9AMEN1KMT2ANPSR1
SCHEMBL4854150 0.73 MAPT (0.44) MAPTRAB9AMEN1KMT2ANPSR1
SCHEMBL11826206 0.72 SRC (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4855606 0.72 ALDH1A1 (0.38) MAPTRAB9AMEN1KMT2ANPSR1
SCHEMBL2948686 0.71 MAPT (0.49) MAPTRAB9AMEN1KMT2ANPSR1
SCHEMBL11190829 0.69 CXCL8 (0.43) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL6263642 0.68 FADS1 (0.41) MAPTRAB9AMEN1KMT2ANPSR1
SCHEMBL2951566 0.67 ALOX5 (0.41) MAPTRAB9AMEN1KMT2ANPSR1

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 10 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 MAPT 224/4885RAB9A 1278/4885MEN1 3332/4885

“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.