SCHEMBL1607418

SCHEMBL1607418

CCOC(=O)C(C)(O)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
ALDH1A1 P00352 2/20 0.39
PKM P14618 3/20 0.38
MMP8 P22894 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARA Q07869 1/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL8477114 1.00 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL7643873 0.83 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL1620933 0.80 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL28072693 0.77 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL2036323 0.76 ALDH1A1 (0.50) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL10601256 0.75 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL8360055 0.74
SCHEMBL122175 0.74
SCHEMBL8945034 0.74 ALDH1A1 (0.48) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL31346451 0.74 CYP4F2 (0.37) CYP4F2CYP4A11ALDH1A1PKMMMP8

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
CN-102036943-A Preparation of a catalyst containing CF3Method for preparing compounds of O group MERCK PATENT GMBH 2011-04-27 CN disclosed
US-20110082312-A1 PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS MERCK PATENT GESELLSCHAFT MIT DESCHRANKTER HAFTUNG (DE) 2011-04-07 US disclosed
US-5973150-A PHARMACOLOGICAL PROFILE SIMILAR TO THAT OF TRAZODONE BUT ALSO HAVE SOME ADVANTAGES SUCH AS, FOR EXAMPLE, A REDUCED AFFINITY FOR ADRENERGIC RECEPTORS. ANGELINI RICERCHE S.P.A. SOCIETA' CONSORTILE (IT) 1999-10-26 US disclosed
US-5817815-A 2-(3-(4-(3-CHLOROPHENYL)-1-(2-METHYL)-PIPERAZINYL)PROPYL)-1,2, 4-TRIAZOLO(4.3-A)PYRIDINE-3(2H)-ONE, ANALGESICS ANGELINI RICERCHE S.P.A. SOCIETA CONSORTILE (IT) 1998-10-06 US disclosed
US-5741907-A CYCLIZATION; SALT FORMATION; SEPARATION ANGELINI RICERCHE S.P.A. SOCIETA' CONSORTILE (IT) 1998-04-21 US disclosed
EP-0707587-B1 PHARMACOLOGICALLY ACTIVE ENANTIOMERS ANGELINI RICERCHE SPA (IT) 1997-10-01 EP disclosed
EP-0707587-A1 PHARMACOLOGICALLY ACTIVE ENANTIOMERS ANGELINI RICERCHE SPA (IT) 1996-04-24 EP disclosed
WO-1995001354-A1 PHARMACOLOGICALLY ACTIVE ENANTIOMERS ANGELINI RICERCHE S.P.A. SOCIETA' CONSORTILE (IT) 1995-01-12 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 (1 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-20110082312-A1 PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS ZRANB2, ORC3, IKZF2 CYP4F2 128/4885CYP4A11 2134/4885ALDH1A1 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.