SCHEMBL3817611

SCHEMBL3817611

CCOC(=O)c1c(C)oc(C(Nc2cc(Cl)cc(Cl)c2)C(=O)O)c1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 5/20 0.38
TP53 P04637 4/20 0.38
ALDH1A1 P00352 6/20 0.38
APAF1 O14727 1/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX5 P09917 1/20 0.36
PRKCZ Q05513 1/20 0.36
DHODH Q02127 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PTGS2 P35354 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL3817505 0.82 CUL4A (0.36) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL3811885 0.79 ALOX15 (0.37) HPGDKMT2AMEN1MAPTTP53
SCHEMBL3810167 0.79 MAOB (0.40) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL3815116 0.74 CUL4A (0.39) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL3809838 0.73 PTGS2 (0.46) MAPTALDH1A1APAF1MITFLMNA
SCHEMBL3813534 0.70 ALDH1A1 (0.38) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL3811839 0.70 CA12 (0.38) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL27577762 0.68 ALDH1A1 (0.31) MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL3807900 0.68 ALDH1A1 (0.37) HPGDKMT2AMEN1MAPTTP53
SCHEMBL3810498 0.68 ALDH1A1 (0.36) HPGDKMT2AMEN1MAPTALDH1A1

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 HPGD 526/4885KMT2A 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.