SCHEMBL3810167

SCHEMBL3810167

CCOC(=O)c1cc(C(Nc2cc(Cl)cc(Cl)c2)C(=O)O)oc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
DHODH Q02127 1/20 0.38
FUCA1 P04066 2/20 0.37
GLB1 P16278 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MAPK1 P28482 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34

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
SCHEMBL3813534 0.89 ALDH1A1 (0.38) KMT2AMEN1HPGDLMNAMAPT
SCHEMBL3811839 0.86 CA12 (0.38) MAOBKMT2AMEN1HPGDLMNA
SCHEMBL3815116 0.82 CUL4A (0.39) KMT2AMEN1MAPTGAADHODH
SCHEMBL3816995 0.81 MAPT (0.47) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL3810200 0.80 TLR4 (0.41) MAOBKMT2AMEN1HPGDLMNA
SCHEMBL3817472 0.80 SMN1; SMN2 (0.42) KMT2AMEN1HPGDMAPTSMN1; SMN2
SCHEMBL3807749 0.80 MAPT (0.47) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL3807812 0.80 FNTA (0.41) KMT2ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL3817611 0.79 HPGD (0.39) KMT2AMEN1HPGDLMNAMAPT
SCHEMBL3815435 0.79 MAPT (0.43) KMT2AMEN1HPGDLMNAMAPT

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 MAOB 573/4885KMT2A 1168/4885MEN1 360/4885

“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.