SCHEMBL3836211

SCHEMBL3836211

CC(C)(C)OC(=O)C(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL4784315 0.78 DGAT1 (0.39) DGAT1
SCHEMBL78520 0.76 DGAT1 (0.46) DGAT1CA14
SCHEMBL14520200 0.75 DGAT1 (0.33) DGAT1CA14
SCHEMBL196496 0.75 DGAT1 (0.33) DGAT1CA14
SCHEMBL29399642 0.74
SCHEMBL6685352 0.73 DGAT1 (0.32) DGAT1CA14
SCHEMBL6685348 0.73 DGAT1 (0.32) DGAT1CA14
SCHEMBL5886622 0.73 ALDH1A1 (0.35) DGAT1CA14
SCHEMBL31174520 0.72 DGAT1 (0.39) DGAT1
SCHEMBL486217 0.72 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190716-A1 FURO- AND THIENO-PYRIDINE CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2017-07-06 US disclosed
US-9556197-B2 Furo- and thieno-pyridine carboxamide compounds useful as pim kinase inhibitors INCYTE CORPORATION (US) 2017-01-31 US disclosed
EP-1581557-B1 METASTIN DERIVATIVES AND THEIR USE TAKEDA PHARMACEUTICAL (JP) 2009-09-23 EP disclosed
EP-1581557-A2 METASTIN DERIVATIVES AND THEIR USE Takeda Pharmaceutical Company Limited (JP) 2005-10-05 EP disclosed
US-6800611-B2 ANTICANCER AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-10-05 US disclosed
WO-2004060264-A2 METASTIN DERIVATIVES AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2004-07-22 WO disclosed
US-20040142875-A1 \"metastin\" is the ligand to a G-protein-coupled orphan receptor known as OT7T175 or AXOR12; prodrug; treating cancer, hydatid mole, invasive mole, miscarriage, fetal hypoplasia, sugar dysbolism, lipid dysbolism or labor induction in a mammal TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-22 US disclosed
US-4335043-A Substituted N-methylene derivatives of thienamycin MERCK & CO., INC. (US) 1982-06-15 US disclosed
US-4311704-A ANTIBIOTICS MERCK & CO., INC. (US) 1982-01-19 US disclosed
US-4309438-A BACTERICIDES MERCK & CO., INC. (US) 1982-01-05 US disclosed
US-4235920-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-11-25 US disclosed
US-4235917-A N-Alkyl-N-acyl derivatives of thienamycin MERCK & CO., INC. (US) 1980-11-25 US disclosed
US-4194047-A Substituted N-methylene derivatives of thienamycin MERCK & CO., INC. (US) 1980-03-18 US disclosed
US-4172144-A Schiff's base derivatives of thienamycin MERCK & CO., INC. (US) 1979-10-23 US disclosed
US-4150145-A ANTIBIOTIC, BACTERICIDES MERCK & CO., INC. (US) 1979-04-17 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-20170190716-A1 FURO- AND THIENO-PYRIDINE CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 DGAT1 3678/4885CA14 4650/4885
US-20040142875-A1 \"metastin\" is the ligand to a G-protein-coupled orphan receptor known as OT7T175 or AXOR12; prodrug; treating cancer, hydatid mole, invasive mole, miscarriage, fetal hypoplasia, sugar dysbolism, lipid dysbolism or labor induction in a mammal GPR27, GPR132, LPAR3 DGAT1 733/4885CA14 647/4885

“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.