SCHEMBL527655

SCHEMBL527655

CO[C@@H](C(=O)Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.42
CNR2 P34972 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.38
P2RX7 Q99572 1/20 0.38
MAOB P27338 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR1 P21554 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
HSD11B1 P28845 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
SCHEMBL527669 1.00 ACP3 (0.42) ACP3CNR2SMN1; SMN2HPGDP2RX7
SCHEMBL2346776 0.85 ACP3 (0.46) ACP3CNR2SMN1; SMN2HPGDMAOB
SCHEMBL2351342 0.85 ACP3 (0.46) ACP3CNR2SMN1; SMN2HPGDMAOB
SCHEMBL2703078 0.85 ACP3 (0.46) ACP3CNR2SMN1; SMN2HPGDMAOB
SCHEMBL8887298 0.84 ACP3 (0.42) ACP3CNR2SMN1; SMN2HPGDMAOB
Hydrochloric Acid SCHEMBL5595953 0.84 ACP3 (0.45) ACP3CNR2SMN1; SMN2HPGDMAOB
SCHEMBL11556739 0.82 FABP4 (0.38) SMN1; SMN2LMNAGAATSHRMAPT
SCHEMBL28969367 0.78 ACP3 (0.45) ACP3CNR2SMN1; SMN2P2RX7LMNA
SCHEMBL5918008 0.76 FABP4 (0.44) ACP3LMNAKMT2A
SCHEMBL28327500 0.76 ACP3 (0.46) ACP3CNR2P2RX7MAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407403-B2 Preparation method of cobimetinib SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2019-09-10 US disclosed
US-20180273506-A1 Preparation Method of Cobimetinib SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2018-09-27 US disclosed
WO-2013103841-A1 METHODS FOR QUANTITATIVE CHIRAL DETERMINATION OF THE d- AND l- ENANTIOMERS OF AMPHETAMINE AND METHAMPHETAMINE CLINICAL REFERENCE LABORATORY, INC. (US) 2013-07-11 WO disclosed
US-20130177994-A1 METHODS FOR QUANTITATIVE CHIRAL DETERMINATION OF THE d- AND l- ENANTIOMERS OF AMPHETAMINE AND METHAMPHETAMINE CLINICAL REFERENCE LABORATORY, INC. (US) 2013-07-11 US disclosed
WO-2012015944-A2 NOVEL TETRAHYDRONAPHALENE ANTAGONISTS TO THE THROMBOXANE A2 (TP) RECEPTOR THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-02-02 WO disclosed
EP-1615937-A2 ANALOGS OF LYSOPHOSPHATIDIC ACID AND METHODS OF MAKING AND USING THEREOF University of Utah Research Foundation (US) 2006-01-18 EP disclosed
WO-2004092188-A2 ANALOGS OF LYSOPHOSPHATIDIC ACID AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2004-10-28 WO disclosed
EP-1368325-A1 NEW ASYMMETRIC PROCESS FOR THE PREPARATION OF DIARYLMETHYLPIPERAZINES DERIVATIVES AND NOVEL ASYMMETRIC DIARYLMETYLAMINES AS INTERMEDIATES AstraZeneca AB (SE) 2003-12-10 EP disclosed
US-6562850-B1 In which numbering of the atoms is started with the sulfur atom of the isothiazole. Two of the rings (rings A and C) are aromatic, and the third is a heterocyclic ring (ring B), a cyclic sulfonamide. Of particular importance are enantiomorph THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2003-05-13 US disclosed
WO-2002070492-A1 NEW ASYMMETRIC PROCESS FOR THE PREPARATION OF DIARYLMETHYLPIPERAZINES DERIVATIVES AND NOVEL ASYMMETRIC DIARYLMETYLAMINES AS INTERMEDIATES ASTRAZENECA AB (SE) 2002-09-12 WO disclosed
EP-0766679-A4 BIOACTIVE ACETOGENINS AND DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 2000-11-02 EP disclosed
EP-0767772-B1 NOVEL CHIRAL CYCLOHEXYL COMPOUNDS SECR DEFENCE (GB) 2000-08-30 EP disclosed
WO-2000004004-A1 METHODS OF SYNTHESIZING SULTAMS AND ANTI-VIRAL COMPOSITIONS THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2000-01-27 WO disclosed
US-5853613-A Chiral cyclohexyl compounds SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1998-12-29 US disclosed
EP-0766679-A1 BIOACTIVE ACETOGENINS AND DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 1997-04-09 EP disclosed
EP-0695294-A1 MICHELLAMINES USEFUL AS ANTIVIRAL AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-02-07 EP 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-10407403-B2 Preparation method of cobimetinib TET2, ABL1, CBLC ACP3 4171/4885CNR2 2883/4885SMN1; SMN2 3451/4885
US-20180273506-A1 Preparation Method of Cobimetinib TET2, ABL1, CBLC ACP3 4171/4885CNR2 2883/4885SMN1; SMN2 3451/4885

“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.