SCHEMBL3811529

SCHEMBL3811529

CC(C)(C)c1ccc(C(Nc2cc(Cl)cc(Cl)c2)C(=O)O)o1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
RAPGEF3 O95398 3/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRN P28799 2/20 0.35
SORT1 Q99523 2/20 0.35
RAPGEF4 Q8WZA2 2/20 0.34
CYP26A1 O43174 1/20 0.34
MDM2 Q00987 2/20 0.33
EGFR P00533 1/20 0.33
POLB P06746 1/20 0.33
ALB P02768 1/20 0.33

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
Hydrochloric Acid SCHEMBL6695163 0.99 GAA (0.37) GAARAPGEF3ALDH1A1SMN1; SMN2MITF
SCHEMBL3812073 0.76 MEN1 (0.35) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3808063 0.75 ALDH1A1 (0.34) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6692954 0.74 ALDH1A1 (0.33) GAAALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL6697350 0.74 ALDH1A1 (0.33) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3807900 0.74 ALDH1A1 (0.37) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3808012 0.74 CYP2E1 (0.36) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3809441 0.74 ALDH1A1 (0.33) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3809482 0.71 KMT2A (0.45) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2944209 0.71 RAB9A (0.43) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341786-B9 SUBSTITUTED DERIVATIVES OF AMINOFURAN-2-YL-ACETIC ACID AND AMINOTHIEN-2-YL-ACETIC ACID AND THE USE THEREOF FOR TREATING MIGRAINES AND PAIN GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
EP-1341786-B1 SUBSTITUTED DERIVATIVES OF AMINOFURAN-2-YL-ACETIC ACID AND AMINOTHIEN-2-YL-ACETIC ACID AND THE USE THEREOF FOR TREATING MIGRAINES AND PAIN GRUENENTHAL GMBH (DE) 2008-12-24 EP claimed
US-6797712-B2 Substituted amino-furan-2-yl-acetic acid and amino-thien-2-yl-acetic acid derivatives and their use in the treatment of migraine and pain GRUENENTHAL GMBH (DE) 2004-09-28 US claimed
US-20040030156-A1 Substituted amino-furan-2-yl-acetic acid and amino-thien-2-yl-acetic acid derivatives and their use in the treatment of migraine and pain GRUENENTHAL GMBH (DE) 2004-02-12 US claimed
EP-1341786-B9 SUBSTITUTED DERIVATIVES OF AMINOFURAN-2-YL-ACETIC ACID AND AMINOTHIEN-2-YL-ACETIC ACID AND THE USE THEREOF FOR TREATING MIGRAINES AND PAIN GRUENENTHAL GMBH (DE) 2009-08-05 EP disclosed
EP-1341786-B1 SUBSTITUTED DERIVATIVES OF AMINOFURAN-2-YL-ACETIC ACID AND AMINOTHIEN-2-YL-ACETIC ACID AND THE USE THEREOF FOR TREATING MIGRAINES AND PAIN GRUENENTHAL GMBH (DE) 2008-12-24 EP disclosed
CN-1326854-C Substituted derivatives of aminofuran-2-Y1-acetic acid and aminothien-2-Y1-acetic acid and use thereof for treating migraines and pain GRUENTHAL GMBH (DE) 2007-07-18 CN disclosed
US-6797712-B2 Substituted amino-furan-2-yl-acetic acid and amino-thien-2-yl-acetic acid derivatives and their use in the treatment of migraine and pain GRUENENTHAL GMBH (DE) 2004-09-28 US disclosed
CN-1478089-A Substituted amino-furan-2-yl-acetic acid and amino-thiophen-2-yl-acetic acid derivatives and their use in the treatment of migraine and pain 2004-02-25 CN disclosed
US-20040030156-A1 Substituted amino-furan-2-yl-acetic acid and amino-thien-2-yl-acetic acid derivatives and their use in the treatment of migraine and pain GRUENENTHAL GMBH (DE) 2004-02-12 US disclosed
EP-1341786-A1 SUBSTITUTED DERIVATIVES OF AMINOFURAN-2-YL-ACETIC ACID AND AMINOTHIEN-2-YL-ACETIC ACID AND THE USE THEREOF FOR TREATING MIGRAINES AND PAIN Grünenthal GmbH (DE) 2003-09-10 EP disclosed
WO-2002044171-A1 SUBSTITUTED DERIVATIVES OF AMINOFURAN-2-YL-ACETIC ACID AND AMINOTHIEN-2-YL-ACETIC ACID AND THE USE THEREOF FOR TREATING MIGRAINES AND PAIN Grünenthal GmbH (DE) 2002-06-06 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-20040030156-A1 Substituted amino-furan-2-yl-acetic acid and amino-thien-2-yl-acetic acid derivatives and their use in the treatment of migraine and pain AADAT, TRPA1, CACNA1I GAA 3109/4885RAPGEF3 1974/4885ALDH1A1 601/4885

“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.