SCHEMBL464904

SCHEMBL464904

COC[C@@H](NC(C)=O)C(=O)NCc1ccc(F)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.75
CA2 P00918 2/20 0.75
CA12 O43570 1/20 0.75
CA3 P07451 1/20 0.75
CA4 P22748 1/20 0.75
CA6 P23280 1/20 0.75
CA5A P35218 1/20 0.75
CA7 P43166 1/20 0.75
CACNA1C Q13936 1/20 0.75
SCN9A Q15858 1/20 0.75
CA9 Q16790 1/20 0.75
CA13 Q8N1Q1 1/20 0.75
CA14 Q9ULX7 1/20 0.75
CA5B Q9Y2D0 1/20 0.75
TSHR P16473 1/20 0.52
GAA P10253 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ANPEP P15144 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL6818550 1.00 CA1 (0.75) CA1CA2CA12CA3CA4
SCHEMBL12168543 0.96 CA1 (0.70) CA1CA2CA12CA3CA4
SCHEMBL12168553 0.94 SCN9A (0.67) CA1CA2CA12CA3CA4
SCHEMBL12188562 0.94 CA1 (0.67) CA1CA2CA12CA3CA4
SCHEMBL12168550 0.93 CA12 (0.65) CA1CA2CA12CA3CA4
SCHEMBL993730 0.91 CA12 (0.62) CA1CA2CA12CA3CA4
SCHEMBL993731 0.91 CA12 (0.62) CA1CA2CA12CA3CA4
SCHEMBL2858060 0.88 CA1 (0.59) CA1CA2CA12CA3CA4
SCHEMBL2862880 0.88 CA1 (0.59) CA1CA2CA12CA3CA4
SCHEMBL12168520 0.87 CA1 (0.77) CA1CA2CA12CA3CA4

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 267 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180140712-A1 N-OPTIONALLY SUBSTITUTED ARYL-2-OLIGOMER-3-ALKOXYPROPIONAMIDES NEKTAR THERAPEUTICS 2018-05-24 US claimed
US-20170165372-A1 N-OPTIONALLY SUBSTITUTED ARYL-2-OLIGOMER-3-ALKOXYPROPIONAMIDES NEKTAR THERAPEUTICS 2017-06-15 US claimed
EP-2035029-B1 PEPTIDE COMPOUNDS FOR TREATING REFRACTORY STATUS EPILEPTICUS UCB PHARMA GMBH (DE) 2016-11-30 EP claimed
US-20140296334-A1 N-Optionally Substituted Aryl-2-Oligomer-3-Alkoxypropionamides NEKTAR THERAPEUTICS 2014-10-02 US claimed
EP-2046386-B1 PEPTIDE COMPOUNDS FOR THE TREATMENT OF SKELETAL MUSCLE DISORDERS ASSOCIATED WITH ION CHANNEL DYSFUNCTION UCB PHARMA GMBH (DE) 2014-07-23 EP claimed
US-20140128377-A1 METHODS OF TREATING REFRACTORY REPETITIVE SEIZURES UCB PHARMA GMBH (DE) 2014-05-08 US claimed
US-20140066515-A1 METHODS FOR TREATING CHANNELOPATHIES UCB PHARMA GMBH (DE) 2014-03-06 US claimed
US-20130316953-A1 NEW USES FOR AMINO ACID ANTICONVULSANTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2013-11-28 US claimed
EP-2210598-B1 Anticonvulsant amino acids for the treatment of pain RES CORP TECHNOLOGIES INC (US) 2013-09-18 EP claimed
US-8519183-B2 Uses for amino acid anticonvulsants RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2013-08-27 US claimed
US-6803481-B2 TREATING DIFFERENT TYPES AND SYMPTOMS OF ACUTE AND CHRONIC PAIN, ESPECIALLY NON NEUROPATHIC INFLAMMATORY PAIN IN MAMMALS. THE PAIN TO BE TREATED MAY BE E.G. CHRONIC INFLAMMATORY PAIN, RHEUMATOID ARTHRITIS PAIN AND/OR SECONDARY SCHWARZ PHARMA AG (DE) 2004-10-12 US claimed
US-20040097416-A1 New uses for amino acid anticonvulsants RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2004-05-20 US claimed
US-20040087508-A1 Users for amino acid anticonvulsants RESEARCH CORPORATION TECHNOLOGIES, INC. 2004-05-06 US claimed
EP-1373300-A2 NOVEL USE OF A PEPTIDE CLASS OF COMPOUND FOR TREATING NON NEUROPATHIC INFLAMMATORY PAIN SCHWARZ PHARMA AG (DE) 2004-01-02 EP claimed
EP-1365787-A2 NEW USES FOR AMINO ACID ANTICONVULSANTS FOR TREATMENT OF PAIN Research Corporation Technologies, Inc (US) 2003-12-03 EP claimed
US-20030171300-A1 Treating different types and symptoms of acute and chronic pain, especially non neuropathic inflammatory pain in mammals. The pain to be treated may be e.g. chronic inflammatory pain, rheumatoid arthritis pain and/or secondary UCB PHARMA GMBH (DE) 2003-09-11 US claimed
WO-2002074784-A2 NOVEL USE OF A PEPTIDE CLASS OF COMPOUND FOR TREATING NON NEUROPATHIC INFLAMMATORY PAIN SCHWARZ PHARMA AG (DE) 2002-09-26 WO claimed
EP-1243262-A1 Novel use of a peptide class of compound for treating non-neuropathic inflammatory pain SCHWARZ PHARMA AG (DE) 2002-09-25 EP claimed
US-20020086828-A1 Uses for amino acid anticonvulsants HARRIS ROBERT H (US) 2002-07-04 US claimed
WO-2002015922-A2 NEW USES FOR AMINO ACID ANTICONVULSANTS FOR TREATMENT OF PAIN RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2002-02-28 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20020086828-A1 Uses for amino acid anticonvulsants SLC1A2, SLC1A1, SLC1A3 CA1 743/4885CA2 330/4885CA12 897/4885
US-20140066515-A1 METHODS FOR TREATING CHANNELOPATHIES HCN3, KCNN3, KCNN2 CA1 1323/4885CA2 407/4885CA12 3479/4885
US-20040087508-A1 Users for amino acid anticonvulsants SLC1A2, SLC1A1, SLC1A3 CA1 1106/4885CA2 930/4885CA12 1396/4885
US-20130316953-A1 NEW USES FOR AMINO ACID ANTICONVULSANTS SLC1A2, SLC1A1, SLC1A3 CA1 832/4885CA2 383/4885CA12 886/4885
US-20040097416-A1 New uses for amino acid anticonvulsants SLC1A2, SLC1A1, SLC1A3 CA1 780/4885CA2 487/4885CA12 1055/4885
US-20140128377-A1 METHODS OF TREATING REFRACTORY REPETITIVE SEIZURES GABRE, GRIK2, GABRR1 CA1 60/4885CA2 312/4885CA12 624/4885
US-20180140712-A1 N-OPTIONALLY SUBSTITUTED ARYL-2-OLIGOMER-3-ALKOXYPROPIONAMIDES UGT1A3, AADAC, ATXN2 CA1 4152/4885CA2 4346/4885CA12 2052/4885
US-20170165372-A1 N-OPTIONALLY SUBSTITUTED ARYL-2-OLIGOMER-3-ALKOXYPROPIONAMIDES UGT1A3, AADAC, ATXN2 CA1 4152/4885CA2 4346/4885CA12 2052/4885
US-20140296334-A1 N-Optionally Substituted Aryl-2-Oligomer-3-Alkoxypropionamides UGT1A3, AADAC, ATXN2 CA1 4152/4885CA2 4346/4885CA12 2052/4885
US-20030171300-A1 Treating different types and symptoms of acute and chronic pain, especially non neuropathic inflammatory pain in mammals. The pain to be treated may be e.g. chronic inflammatory pain, rheumatoid arthritis pain and/or secondary OPRK1, OPRL1, PTGER1 CA1 2279/4885CA2 1974/4885CA12 3621/4885

“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.