Sugi Predict

Sugi Predict / Compounds / SCHEMBL4989616

SCHEMBL4989616

SCHEMBL4989616

CC(CC(CN)C(=O)O)C(C)c1cccc(O)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ HIF1A Q16665 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ IAPP P10997 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ FAAH O00519 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SLC6A2 P23975 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
SCHEMBL4986423 0.89 TSHR (0.41) CYP1A2POLBTSHRCA1CA2
SCHEMBL4985296 0.87 ADRB2 (0.36) HIF1APOLBTSHRHPGDLMNA
SCHEMBL4994105 0.86 TSHR (0.38) BCHETYRACHEHIF1ACYP1A2
SCHEMBL4994363 0.84 ANPEP (0.34) HIF1ACYP1A2POLBTSHRCA1
SCHEMBL27665340 0.83 KDM4E (0.44) BCHETYRACHEHIF1APTGS1
SCHEMBL4986372 0.81 BCHE (0.41) BCHETYRACHEHIF1ACYP1A2
SCHEMBL4987259 0.81 CYP1A2 (0.33) HIF1ACYP1A2TSHRHPGDLMNA
SCHEMBL4985895 0.81 GRM1 (0.30) ALOX5
SCHEMBL4989392 0.80 KDM4E (0.33) HIF1ACYP1A2POLBTSHRLMNA
SCHEMBL4989209 0.80 MME (0.38) CYP1A2POLBANPEPRNPEPDNPEP

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 BCHE 3713/4885TYR 3971/4885ACHE 1777/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A BCHE 2767/4885TYR 3532/4885ACHE 1015/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A BCHE 3217/4885TYR 3748/4885ACHE 1462/4885

“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.