SCHEMBL3761384

SCHEMBL3761384

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
AAK1 Q2M2I8 1/20 0.33
CXCR2 P25025 2/20 0.31
CXCR1 P25024 1/20 0.31

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
SCHEMBL1923604 1.00 CA12 (0.36) CA12CA14AAK1CXCR2CXCR1
SCHEMBL1784835 1.00 CA12 (0.36) CA12CA14AAK1CXCR2CXCR1
SCHEMBL5551942 0.82 CA12 (0.34) CA12CA14AAK1CXCR2
SCHEMBL31153798 0.82 CA12 (0.34) CA12CA14AAK1CXCR2
SCHEMBL1923926 0.82 CA2 (0.38) CA12CA14
SCHEMBL3770785 0.82 CA2 (0.38) CA12CA14
SCHEMBL16584183 0.81 CA14 (0.41) CA12CA14CXCR2CXCR1
SCHEMBL2598240 0.81 CA14 (0.41) CA12CA14CXCR2CXCR1
SCHEMBL2797628 0.81 CA14 (0.41) CA12CA14CXCR2CXCR1
SCHEMBL10890446 0.79 ALDH1A1 (0.41) CA12CA14

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212065-B2 Method for the production of optically active alpha alkyl carbonyl compounds ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2012-07-03 US disclosed
US-20100305352-A1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE ALPHA ALKYL CARBONYL COMPOUNDS ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2010-12-02 US disclosed
US-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-5017567-A Steroid antiinflammatory SCHERING CORPORATION (US) 1991-05-21 US disclosed
US-5015641-A Dipeptide for vision defects ANDREWS DAVID R (US) 1991-05-14 US disclosed
EP-0236307-B1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS SCHERING CORPORATION (US) 1991-04-17 EP disclosed
US-4906635-A Carboxyalkyl dipeptides as antiglaucoma agents SCHERING CORPORATION (US) 1990-03-06 US disclosed
US-4885293-A CARBOXYALKYL DIPEPTIDES SCHERING CORPORATION (US) 1989-12-05 US disclosed
EP-0236307-A1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS. SCHERING CORP (US) 1987-09-16 EP disclosed
US-4691049-A Process for preparing a specific diastereomer of a monoamino dicarboxylic acid ester SCHERING CORPORATION (US) 1987-09-01 US disclosed
WO-1987001707-A1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS SCHERING CORPORATION (US) 1987-03-26 WO disclosed
US-4634698-A TOPICAL HYPOTENSIVES SCHERING CORPORATION (US) 1987-01-06 US disclosed
US-4616012-A BENZOTHIADIZINYL AND QUINAZOLINYL DERIVATIVES SCHERING CORPORATION (US) 1986-10-07 US disclosed
EP-0195817-A1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SCHERING CORP (US) 1986-10-01 EP disclosed
US-4584285-A Antihypertensive agents SCHERING CORPORATION (US) 1986-04-22 US disclosed
WO-1986001803-A1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-03-27 WO disclosed
US-4559340-A DIURETICS; GLAUCOMA SCHERING CORPORATION (US) 1985-12-17 US disclosed
US-4556655-A TREATMENT OF CARDIOVASCULAR DISORDERS AND GLAUCOMA SCHERING CORPORATION (US) 1985-12-03 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-20100305352-A1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE ALPHA ALKYL CARBONYL COMPOUNDS ZNF787, ZKSCAN2, ERG28 CA12 1276/4885CA14 1244/4885AAK1 1611/4885
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 CA12 1385/4885CA14 779/4885AAK1 1763/4885

“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.