SCHEMBL4987597

SCHEMBL4987597

Cc1cccc(CCC(C)CC(CN)C(=O)O)c1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PPARG P37231 2/20 0.34
SCN4A P35499 4/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARA Q07869 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
GRIK1 P39086 1/20 0.33
HMGB1 P09429 1/20 0.33
PSMB1 P20618 1/20 0.32
PSMB5 P28074 1/20 0.32
PSMB2 P49721 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR35 Q9HC97 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
SCHEMBL4994110 0.92 GRIK1 (0.36) ESR1ESR2PPARGSCN4AMMP2
SCHEMBL4989916 0.89 TAAR1 (0.44) PPARGPPARAGRIK1MEN1ALDH1A1
SCHEMBL4987972 0.88 GRIK1 (0.31) GRIK1
SCHEMBL4990975 0.86 SCN4A (0.38) ESR1PPARGSCN4APTGESALOX5
SCHEMBL4987815 0.85 SCN4A (0.36) SCN4AMMP2MMP3GRIK1ALDH1A1
SCHEMBL4986368 0.85 PPARG (0.37) PPARGMMP2MMP3PTGESALOX5
SCHEMBL4990348 0.83 IAPP (0.47) HMGB1
SCHEMBL4993892 0.82 TAAR1 (0.45) GRIK1
SCHEMBL4988379 0.82 TAAR1 (0.41) PPARGGRIK1MEN1ALDH1A1KMT2A
SCHEMBL4991268 0.82 ANPEP (0.33) ALDH1A1

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
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 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 (3 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 ESR1 2073/4885ESR2 426/4885PPARG 1820/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ESR1 2235/4885ESR2 420/4885PPARG 1405/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ESR1 2268/4885ESR2 440/4885PPARG 1828/4885

“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.