SCHEMBL5365699

SCHEMBL5365699

COc1ccc(CCC(N)CC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.62
S1PR1 P21453 2/20 0.62
FFAR1 O14842 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LDHA P00338 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
F2RL1 P55085 1/20 0.49
MMP12 P39900 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
S1PR3 Q99500 1/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11221992 0.84 LDHA (0.53) FFAR1ALDH1A1LDHANPC1RAB9A
SCHEMBL6467779 0.84 LDHA (0.62) FFAR1LDHAMMP1MMP2MMP9
SCHEMBL6460737 0.83 MMP12 (0.65) FFAR1ALDH1A1LDHAF2RL1MMP12
SCHEMBL5368779 0.82 S1PR2 (0.68) S1PR2S1PR1FFAR1MMP12TAAR1
SCHEMBL27927474 0.82 S1PR2 (0.68) S1PR2S1PR1FFAR1MMP12TAAR1
SCHEMBL6462808 0.81 FFAR1 (0.50) FFAR1ALDH1A1LDHAF2RL1MMP12
SCHEMBL6464896 0.81 FFAR1 (0.50) FFAR1ALDH1A1LDHAF2RL1MMP12
SCHEMBL18071078 0.81 KIF11 (0.57) FFAR1ALDH1A1LDHAF2RL1TAAR1
SCHEMBL6950447 0.81 KIF11 (0.57) FFAR1ALDH1A1LDHAF2RL1TAAR1
SCHEMBL6942606 0.81 KIF11 (0.57) FFAR1ALDH1A1LDHAF2RL1TAAR1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030229144-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2003-12-11 US claimed
US-6306909-B1 AMINOACID DERIVATIVES AND ESTERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-23 US claimed
JP-2001515483-A 2001-09-18 JP claimed
EP-0969823-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-01-12 EP claimed
WO-1998040055-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-09-17 WO claimed
US-7268164-B2 Anti-epileptogenic agents QUEENS UNIVERSITY AT KINGSTON (CA) 2007-09-11 US disclosed
US-6930112-B2 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2005-08-16 US disclosed
US-6903233-B2 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-07 US disclosed
EP-1386166-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
US-20030229144-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2003-12-11 US disclosed
US-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-12-04 US disclosed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 US disclosed
EP-1344763-A1 Process for producing optically active 3-halogenocarboxylic acid esters and 3-azide-carboxylic acid esters Takasago International Corporation (JP) 2003-09-17 EP disclosed
WO-2002073208-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-09-19 WO disclosed
US-20020025949-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2002-02-28 US disclosed
US-6306909-B1 AMINOACID DERIVATIVES AND ESTERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-23 US disclosed
EP-0969823-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-01-12 EP disclosed
WO-1998040055-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-09-17 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 (4 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-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester HDHD5, APEH, AOC3 S1PR2 4547/4885S1PR1 4528/4885FFAR1 349/4885
US-20030229144-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 S1PR2 1948/4885S1PR1 2532/4885FFAR1 3761/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 S1PR2 2034/4885S1PR1 2648/4885FFAR1 1888/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 S1PR2 1948/4885S1PR1 2532/4885FFAR1 3761/4885

“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.