SCHEMBL3812982

SCHEMBL3812982

CSCc1ccc(C(Nc2ccc(Cl)cc2)C(=O)O)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TP53 P04637 3/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
MDM2 Q00987 4/20 0.35
LMNA P02545 3/20 0.35
F10 P00742 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GFER P55789 1/20 0.32
THRB P10828 1/20 0.32
SDCBP O00560 1/20 0.32
SDC2 P34741 1/20 0.32

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
SCHEMBL3808063 0.89 ALDH1A1 (0.34) MAPTMDM2MEN1KMT2A
SCHEMBL3811793 0.88 FPR2 (0.36) MAPTLMNAF10MEN1KMT2A
SCHEMBL6692954 0.88 ALDH1A1 (0.33) MAPTMDM2MEN1KMT2A
Hydrochloric Acid SCHEMBL6697350 0.88 ALDH1A1 (0.33) MAPTMDM2MEN1KMT2A
SCHEMBL3810601 0.86 KMT2A (0.36) MAPTLMNAMEN1KMT2AGFER
SCHEMBL3809466 0.85 NPC1 (0.36) MAPTTP53MEN1KMT2A
SCHEMBL3809982 0.83 CA1 (0.42) MAPTCA1LMNAKMT2ACA14
SCHEMBL3807930 0.83 TSHR (0.40) MAPTTP53MEN1KMT2A
SCHEMBL3809454 0.82 SMN1; SMN2 (0.37) MAPTLMNAMEN1KMT2ATHRB
SCHEMBL3809705 0.82 LMNA (0.40) MAPTTP53LMNA

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 14 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
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 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
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 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 MAPT 1183/4885TP53 4741/4885CA2 137/4885

“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.