Sugi Predict

Sugi Predict / Compounds / SCHEMBL6730304

SCHEMBL6730304

SCHEMBL6730304

CCCc1c(C(=O)O)c(COC)nc(COC)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.37
▸ PTPN11 Q06124 2/20 0.37
▸ LDHA P00338 2/20 0.36
▸ LDHB P07195 2/20 0.36
▸ ADORA3 P0DMS8 5/20 0.35
▸ DPP4 P27487 2/20 0.35
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TMIGD3 P0DMS9 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BLM P54132 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
SCHEMBL6731381 0.75 PTPN1 (0.48) PTPN1PTPN11HCAR2BLMKDM4E
SCHEMBL22418967 0.74 LDHA (0.48) PTPN1PTPN11LDHALDHBDPP4
SCHEMBL14989236 0.74 LDHA (0.48) PTPN1PTPN11LDHALDHBDPP4
SCHEMBL30563097 0.71 LDHA (0.46) PTPN1PTPN11LDHALDHBDPP4
SCHEMBL14989262 0.71 LDHA (0.46) PTPN1PTPN11LDHALDHBDPP4
SCHEMBL9194914 0.71 LMNA (0.41) PTPN1PTPN11LDHALDHBADORA3
SCHEMBL9427465 0.70 P2RX3 (0.38) ADORA3DPP4DPP8DPP9HCAR2
SCHEMBL9644151 0.69 HSD17B10 (0.35) HCAR2TSHRNPSR1KDM4E
SCHEMBL28757438 0.69 PTPN1 (0.41) PTPN1PTPN11LDHALDHBPTPN2
SCHEMBL797104 0.68 LDHA (0.47) PTPN1PTPN11LDHALDHBDPP4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity LEE LEN F (US) 2004-11-04 — — US disclosed
US-6794396-B2 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity PHARMACIA CORPORATION 2004-09-21 — — US disclosed
US-20040038939-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity PHARMACIA CORPORATION 2004-02-26 — — US disclosed
US-6605624-B1 Preventing and/or treating atherosclerosis and other coronary artery diseases PHARMACIA CORPORATION 2003-08-12 — — 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 (2 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-20040038939-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, CES1, MTTP PTPN1 2651/4885PTPN11 3430/4885LDHA 4023/4885
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT PTPN1 3086/4885PTPN11 3544/4885LDHA 3861/4885

“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.