Sugi Predict

Sugi Predict / Compounds / SCHEMBL4990718

SCHEMBL4990718

SCHEMBL4990718

CC(CCc1cc(O)ccc1O)CC(CN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.42
▸ LCK P06239 2/20 0.42
▸ TYR P14679 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ MAP1LC3B Q9GZQ8 1/20 0.36
▸ MAP1LC3A Q9H492 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL4983474 0.92 EGFR (0.40) EGFRLCKTYRALDH1A1HIF1A
SCHEMBL4986424 0.89 TYR (0.54) TYRTP53CYP3A4ALOX15MEN1
SCHEMBL4981495 0.88 TDP1 (0.39) EGFRLCKALDH1A1HIF1AHSD17B10
SCHEMBL4989996 0.86 EGFR (0.39) EGFRLCKTYRALDH1A1HIF1A
SCHEMBL4992918 0.84 PTPN1 (0.36) TYRMEN1KMT2ATDP1BLM
SCHEMBL4993892 0.83 TAAR1 (0.45) —
SCHEMBL4986271 0.82 ESR2 (0.35) ALDH1A1HSD17B10CYP3A4CYP2C9MEN1
SCHEMBL4984449 0.82 TYR (0.48) TYRALDH1A1HSD17B10TP53CYP3A4
SCHEMBL4989687 0.81 EGFR (0.38) EGFRLCKTYRALDH1A1HIF1A
SCHEMBL4983789 0.80 ANPEP (0.45) ALDH1A1CYP2C19MEN1KMT2ATDP1

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 EGFR 3195/4885LCK 2606/4885TYR 3971/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A EGFR 3354/4885LCK 2513/4885TYR 3532/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A EGFR 3204/4885LCK 2650/4885TYR 3748/4885

“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.