Sugi Predict

Sugi Predict / Compounds / SCHEMBL4986175

SCHEMBL4986175

SCHEMBL4986175

CCOc1cc(OCC)c(C(CC)CC(CN)C(=O)O)c(OCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ CREBBP Q92793 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ F10 P00742 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ F7 P08709 1/20 0.33
▸ F3 P13726 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 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
SCHEMBL4990602 0.86 TSHR (0.40) PTGS2KDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL4983547 0.85 PTGS2 (0.40) PTGS2KDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL4984031 0.85 L3MBTL1 (0.41) PTGS2KDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL4981326 0.85 KDM4E (0.44) PTGS2KDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL27644278 0.84 SLC1A3 (0.39) PTGS2KDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL4991472 0.84 PTGS2 (0.47) PTGS2AKR1C3AKR1C2F10PRSS1
SCHEMBL4984608 0.83 PTGS2 (0.39) PTGS2KDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL4984485 0.83 STING1 (0.39) AKR1C3AKR1C2PPARDPPARA
SCHEMBL4990841 0.82 AKR1C3 (0.41) PTGS2KDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL4989670 0.81 HSD17B10 (0.37) KDM4ESMN1; SMN2HSD17B10NPC1USP2

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 PTGS2 1324/4885KDM4E 3870/4885SMN1; SMN2 1368/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PTGS2 948/4885KDM4E 3684/4885SMN1; SMN2 1347/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PTGS2 1173/4885KDM4E 3950/4885SMN1; SMN2 1393/4885

“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.