SCHEMBL4856820

SCHEMBL4856820

CSc1ccc(C(Nc2cc(Cl)cc(Cl)c2)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
AKR1C3 P42330 5/20 0.42
AKR1C2 P52895 5/20 0.42
MDM2 Q00987 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 2/20 0.38
FPR2 P25090 1/20 0.37
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
AKR1C1 Q04828 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7576844 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EGAAFPR2
SCHEMBL7584774 0.79 MAPT (0.46) ALDH1A1SMN1; SMN2AKR1C3AKR1C2KDM4E
SCHEMBL4854150 0.75 MAPT (0.44) ALDH1A1SMN1; SMN2KDM4EGAAMEN1
SCHEMBL27567259 0.75 MDM2 (0.43) ALDH1A1SMN1; SMN2AKR1C3AKR1C2MDM2
SCHEMBL27567385 0.74 MDM2 (0.42) ALDH1A1SMN1; SMN2AKR1C3AKR1C2MDM2
SCHEMBL2482459 0.72 MEN1 (0.57) ALDH1A1SMN1; SMN2KDM4EGAAMEN1
SCHEMBL13240820 0.72 MEN1 (0.57) ALDH1A1SMN1; SMN2KDM4EGAAMEN1
SCHEMBL3816437 0.72 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MDM2KDM4EGAA
Hydrochloric Acid SCHEMBL2484358 0.71 MEN1 (0.56) ALDH1A1SMN1; SMN2KDM4EGAAMEN1
SCHEMBL9298520 0.70 CNR1 (0.53) ALDH1A1SMN1; SMN2MDM2GAAMEN1

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 ALDH1A1 501/4885SMN1; SMN2 309/4885AKR1C3 1146/4885

“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.