SCHEMBL3816995

SCHEMBL3816995

CCOC(=O)c1cc(C(Nc2ccccc2Cl)C(=O)O)oc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
FTO Q9C0B1 1/20 0.42
METTL3 Q86U44 1/20 0.42
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3811791 0.92 MAPT (0.48) MAPTTDP1KMT2AMEN1FTO
SCHEMBL3815435 0.91 MAPT (0.43) MAPTTDP1KMT2AMEN1FTO
SCHEMBL4797080 0.90 MAPT (0.45) MAPTTDP1KMT2AMEN1FTO
SCHEMBL3811476 0.86 LMNA (0.47) TDP1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL3807801 0.86 HPGD (0.40) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL27547108 0.86 LMNA (0.43) MAPTKMT2AMEN1FTOMETTL3
SCHEMBL27567254 0.85 MAPT (0.41) MAPTTDP1KMT2AMEN1ALDH1A1
SCHEMBL3811991 0.83 MAPT (0.42) MAPTTDP1KMT2AMEN1FTO
SCHEMBL3811887 0.83 CUL4A (0.39) MAPTTDP1KMT2AMEN1ALDH1A1
SCHEMBL3810200 0.82 TLR4 (0.41) MAPTKMT2AMEN1ALDH1A1LMNA

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 2622/4885KMT2A 1168/4885

“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.