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Sugi Predict / Compounds / SCHEMBL4987259

SCHEMBL4987259

SCHEMBL4987259

Cc1cccc(C(C)C(C)CC(CN)C(=O)O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ AKR1B10 O60218 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MPO P05164 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ NAPRT Q6XQN6 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
SCHEMBL4989209 0.89 MME (0.38) CYP1A2MYCPPARGANPEPRNPEP
SCHEMBL4992591 0.87 GRM1 (0.33) CYP1A2MEN1KMT2ATDP1ANPEP
SCHEMBL4993588 0.86 LMNA (0.35) CYP1A2CYP3A4CYP2C9LMNAPTGES
SCHEMBL4991432 0.84 SCN4A (0.34) CYP1A2MYCPPARGPPARAANPEP
SCHEMBL27644384 0.83 SLC7A5 (0.41) PTGS1HIF1ATDP1KDM4E
SCHEMBL4984969 0.81 LMNA (0.36) LMNAPTGESALOX5PPARGPPARA
SCHEMBL4989616 0.81 BCHE (0.35) CYP1A2CYP3A4LMNAPTGS1HIF1A
SCHEMBL4986115 0.81 KDM4E (0.34) LMNACYP2C19KDM4EALDH1A1SLC6A2
SCHEMBL4990830 0.80 ALDH1A1 (0.32) TDP1ANPEPRNPEPDNPEPCYP2C19
SCHEMBL4986423 0.80 TSHR (0.41) CYP1A2PTGS1PTGS2NAPRTANPEP

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 CYP1A2 1487/4885CYP3A4 2830/4885CYP2C9 2603/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CYP1A2 1628/4885CYP3A4 3250/4885CYP2C9 2863/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CYP1A2 1464/4885CYP3A4 2857/4885CYP2C9 2405/4885

“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.