Sugi Predict

Sugi Predict / Compounds / SCHEMBL6732295

SCHEMBL6732295

SCHEMBL6732295

COC(=O)c1c(OC(C)C)ccnc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90B1 P14625 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RET P07949 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ ULK1 O75385 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL8358184 0.86 HTT (0.43) HTTHSD17B10RXRARXRBRXRG
SCHEMBL31214434 0.85 HTT (0.42) HTTHSD17B10MAPTCA12CA1
SCHEMBL6738647 0.85 KDM4E (0.42) HTTHSD17B10MAPTCA12CA1
SCHEMBL31214501 0.80 LMNA (0.38) HSP90AA1HSP90B1ULK1CA12CA1
SCHEMBL31214464 0.80 HTT (0.38) HTTHSD17B10
SCHEMBL30601101 0.78 MET (0.39) HSP90AA1HSP90B1ULK1CA12CA1
SCHEMBL6727082 0.78 CA12 (0.50) HTTHSD17B10HSP90AA1HSP90B1NOTUM
SCHEMBL27693260 0.78 HTT (0.43) HTTHSD17B10NOTUMMAPTCA12
SCHEMBL27675263 0.77 HTT (0.38) HTTHSD17B10HSP90AA1HSP90B1MAPT
SCHEMBL10364788 0.77 KDM4E (0.38) HTTNOTUMRXRARXRBRXRG

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 5 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
WO-1999041237-A1 SUBSTITUTED PYRIDINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY G.D. SEARLE & CO. (US) 1999-08-19 — — WO 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 HTT 4743/4885HSD17B10 107/4885HSP90AA1 3789/4885
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT HTT 4692/4885HSD17B10 101/4885HSP90AA1 3887/4885

“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.