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Sugi Predict / Compounds / SCHEMBL4990772

SCHEMBL4990772

SCHEMBL4990772

CCC(Cc1ccc(O)c(O)c1O)CC(CN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ THPO P40225 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ HK2 P52789 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ PMP22 Q01453 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 2/20 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
SCHEMBL4987271 0.88 IAPP (0.40) CPB2PPARG
SCHEMBL4992811 0.87 PRKCI (0.35) CPB2KDM4EESR2ALDH1A1THPO
SCHEMBL4990332 0.86 TDP1 (0.35) CPB2KDM4EALDH1A1THPOHSD17B10
SCHEMBL4993420 0.85 TDP1 (0.36) CPB2KDM4ETHPOHSD17B10ADORA3
SCHEMBL4988109 0.85 PRKCI (0.33) KDM4EESR2ALDH1A1THPOHSD17B10
SCHEMBL4990702 0.83 KDM4E (0.35) CPB2KDM4EESR2ALDH1A1THPO
SCHEMBL4984068 0.83 EGFR (0.35) CPB2KDM4EALDH1A1THPOHSD17B10
SCHEMBL4989851 0.83 MEN1 (0.40) CYP3A4TDP1MAPTMEN1KMT2A
SCHEMBL4987943 0.82 AKR1B1 (0.40) CPB2CYP3A4POLBSLC1A3SLC1A2
SCHEMBL4989955 0.80 PTPN1 (0.35) CPB2KDM4EALDH1A1THPOHSD17B10

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 CPB2 1747/4885KDM4E 3870/4885ESR2 426/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CPB2 1342/4885KDM4E 3684/4885ESR2 420/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CPB2 1460/4885KDM4E 3950/4885ESR2 440/4885

“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.