Sugi Predict

Sugi Predict / Compounds / SCHEMBL4985237

SCHEMBL4985237

SCHEMBL4985237

CC(Cc1cc(F)c(F)c(F)c1F)CC(CN)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ USP2 O75604 2/20 0.33
▸ RGS12 O14924 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ BRCA1 P38398 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ GNAI1 P63096 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 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
SCHEMBL4990182 0.88 RIPK1 (0.38) USP2RGS12CYP3A4CYP2C9PKM
SCHEMBL4992295 0.86 HDAC3 (0.33) HDAC3HDAC6
SCHEMBL4986483 0.86 CA2 (0.35) CPB2DPP4MME
SCHEMBL4995153 0.84 CPB2 (0.33) CYP2C9HIF1ALMNACPB2MME
SCHEMBL4992764 0.84 HDAC3 (0.32) HDAC3HDAC6
SCHEMBL4988225 0.84 CPB2 (0.34) CYP2C9HIF1ALMNACPB2MME
SCHEMBL4992630 0.84 CPB2 (0.34) HDAC3HDAC6CYP2C9HIF1ALMNA
SCHEMBL4989314 0.81 FOLH1 (0.35) CPB2
SCHEMBL4981480 0.80 DPP4 (0.43) DPP4
SCHEMBL4989752 0.80 DPP4 (0.38) ALDH1A1DPP4MME

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 HDAC3 3608/4885HDAC6 2576/4885USP2 2776/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A HDAC3 3448/4885HDAC6 2738/4885USP2 2243/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A HDAC3 3850/4885HDAC6 2860/4885USP2 2585/4885

“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.