SCHEMBL4854150

SCHEMBL4854150

CSc1ccccc1C(Nc1cc(Cl)cc(Cl)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
RAB9A P51151 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 2/20 0.37
EGFR P00533 1/20 0.36
DHODH Q02127 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
SCHEMBL4859517 0.76 MEN1 (0.58) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7576844 0.76 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4856820 0.75 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4857577 0.73 MAPT (0.38) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4855606 0.72 ALDH1A1 (0.38) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2948686 0.71 MAPT (0.49) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4859316 0.71 MEN1 (0.35) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4855970 0.71 ACLY (0.39) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9493980 0.69 SRC (0.45) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3809482 0.69 KMT2A (0.45) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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 8 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
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 224/4885ALDH1A1 501/4885SMN1; SMN2 309/4885

“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.