SCHEMBL3811991

SCHEMBL3811991

CCOC(=O)c1cc(C(Nc2cccc(Cl)c2Cl)C(=O)OCC)oc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
METTL3 Q86U44 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.40
FTO Q9C0B1 1/20 0.40
GPR35 Q9HC97 1/20 0.38
CYP2C9 P11712 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 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
SCHEMBL3815435 0.93 MAPT (0.43) MAPTTDP1METTL3MEN1KMT2A
SCHEMBL3811791 0.91 MAPT (0.48) MAPTTDP1METTL3MEN1KMT2A
SCHEMBL3811442 0.84 MAPT (0.41) MAPTMEN1KMT2AALDH1A1GPR35
SCHEMBL3816995 0.83 MAPT (0.47) MAPTTDP1METTL3MEN1KMT2A
SCHEMBL27567254 0.82 MAPT (0.41) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL3807528 0.82 LMNA (0.48) TDP1KDM4ETSHRLMNANPSR1
SCHEMBL3812079 0.82 HPGD (0.40) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL3813098 0.81 LMNA (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4797080 0.81 MAPT (0.45) MAPTTDP1METTL3MEN1KMT2A
SCHEMBL3815320 0.78 MAPT (0.46) MAPTMEN1KMT2AALDH1A1GPR35

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 6 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
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
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

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 MAPT 1183/4885TDP1 2622/4885METTL3 1516/4885

“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.