SCHEMBL4987271

SCHEMBL4987271

CCC(Cc1cccc(O)c1O)CC(CN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.40
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
CPB2 Q96IY4 1/20 0.34
PPARG P37231 1/20 0.34
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33

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
SCHEMBL4987943 0.89 AKR1B1 (0.40) CPB2PPARG
SCHEMBL4990772 0.88 CPB2 (0.35) CPB2PPARG
SCHEMBL4990872 0.87 IAPP (0.45) IAPPBIDMCL1BCL2L1BAK1
SCHEMBL4986825 0.85 IAPP (0.43) IAPPPPARGBIDMCL1BCL2L1
SCHEMBL4986170 0.85 CPB2 (0.36) CPB2PPARG
SCHEMBL4989911 0.84 IAPP (0.41) IAPPGABRA1GABRB2ELANECTSG
SCHEMBL4988595 0.82 RIPK1 (0.38) CPB2PPARG
SCHEMBL4989955 0.82 PTPN1 (0.35) CPB2
SCHEMBL4987097 0.82 PPARG (0.41) CPB2PPARG
SCHEMBL4993420 0.81 TDP1 (0.36) CPB2PPARG

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 IAPP 1685/4885GABRA1 96/4885GABRB2 46/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A IAPP 1587/4885GABRA1 90/4885GABRB2 27/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A IAPP 1639/4885GABRA1 87/4885GABRB2 38/4885

“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.