SCHEMBL6467779

SCHEMBL6467779

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.62
SLC6A4 P31645 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 1/20 0.51
DPP4 P27487 1/20 0.49
FFAR1 O14842 4/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
PKM P14618 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 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
SCHEMBL5365699 0.84 S1PR2 (0.62) LDHAFFAR1MMP1MMP2MMP9
SCHEMBL11221835 0.83 LDHA (0.66) LDHASLC6A4POLBFFAR1PPARG
SCHEMBL29478395 0.83 ACACB (0.47) LDHAPOLBPPARGPPARA
SCHEMBL29036569 0.83 ACACB (0.47) LDHAPOLBPPARGPPARA
SCHEMBL14301061 0.82 FFAR1 (0.58) FFAR1PPARGPPARA
SCHEMBL656814 0.82 SLC6A4 (0.73) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL16552402 0.81 MMP9 (0.54) CYP1A2CYP2D6CYP2C19MMP9
SCHEMBL17335934 0.81 LDHA (0.51) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL6462909 0.81 LDHA (0.64) LDHASLC6A4CYP2D6POLBFFAR1
SCHEMBL6177062 0.81 LDHA (0.64) LDHASLC6A4POLBFFAR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105555297-A WNT compositions and purification methods UNIV LELAND STANFORD JUNIOR 2016-05-04 CN disclosed
CN-104159595-A Peptidomimetic macrocycles AILERON THERAPEUTICS INC 2014-11-19 CN disclosed
CN-104144695-A Triazole-and thioether-crosslinked peptidomimetic macrocycles AILERON THERAPEUTICS INC 2014-11-12 CN disclosed
CN-104039342-A Peptidomimetic macrocycles AILERON THERAPEUTICS INC 2014-09-10 CN 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
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
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

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-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester HDHD5, APEH, AOC3 LDHA 3066/4885SLC6A4 3341/4885CYP1A2 1100/4885

“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.