Sugi Predict

Sugi Predict / Compounds / SCHEMBL5535425

SCHEMBL5535425

SCHEMBL5535425

CCOC(=O)C[C@H]1CC[C@@H](c2ccc(O)cc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ HSD17B1 P14061 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ OPRL1 P41146 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37

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
SCHEMBL2254093 1.00 DGAT1 (0.43) DGAT1JAK2JAK1TYK2JAK3
SCHEMBL2254089 1.00 DGAT1 (0.43) DGAT1JAK2JAK1TYK2JAK3
SCHEMBL3043968 0.87 DGAT1 (0.42) DGAT1L3MBTL1FFAR4MIFOPRL1
SCHEMBL29926769 0.86 OPRL1 (0.50) DGAT1JAK2JAK1TYK2JAK3
SCHEMBL17731192 0.86 OPRL1 (0.50) DGAT1JAK2JAK1TYK2JAK3
SCHEMBL17731210 0.85 KMT2A (0.45) DGAT1JAK2JAK1TYK2JAK3
SCHEMBL2257942 0.85 HSD17B1 (0.43) DGAT1JAK2JAK1TYK2JAK3
SCHEMBL5538318 0.85 HSD17B1 (0.43) DGAT1JAK2JAK1TYK2JAK3
SCHEMBL2257946 0.85 HSD17B1 (0.43) DGAT1JAK2JAK1TYK2JAK3
SCHEMBL17730953 0.83 BRD4 (0.46) JAK2JAK1TYK2JAK3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234978-B1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2015-02-25 — — EP disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 — — US disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 — — US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 — — US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 — — US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
WO-2009081195-A1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2009-07-02 — — 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-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 DGAT1 1/4885JAK2 3482/4885JAK1 3333/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 DGAT1 1/4885JAK2 3518/4885JAK1 3330/4885

“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.