SCHEMBL2494492

SCHEMBL2494492

O=S(=O)(Cl)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 7/20 0.49
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL10498632 0.84 TRPV4 (0.45) KDM4EALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL2001461 0.81 TRPV4 (0.45) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL13485842 0.81 KDM4E (0.57) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL420088 0.81 CYP1A2 (0.50) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL2493524 0.81 TRPV4 (0.53) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL23850634 0.80 L3MBTL1 (0.47) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL24314301 0.80 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9SMN1; SMN2POLB
SCHEMBL2494092 0.79 ALDH1A1 (0.40) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL2495200 0.78 TRPV4 (0.45) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL2494494 0.77 ALDH1A1 (0.45) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20090264499-A1 Cathepsin C Inhibitors GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
US-20090264498-A1 Cathepsin C Inhibitors GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
WO-2009129365-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-22 WO disclosed
WO-2009129371-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-22 WO disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US disclosed
US-7390825-B1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-24 US disclosed
US-7390825-B1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-24 US disclosed
US-20080146458-A1 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-19 US disclosed
US-20080146458-A1 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-19 US disclosed
US-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-11-15 US disclosed
US-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-11-15 US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 EP disclosed
EP-1320523-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Warner-Lambert Company LLC (US) 2003-06-25 EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO disclosed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 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 (7 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-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof OXA1L, OTC, ODC1 KDM4E 1635/4885ALDH1A1 2186/4885CYP1A2 613/4885
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT KDM4E 3961/4885ALDH1A1 642/4885CYP1A2 1698/4885
US-20090264499-A1 Cathepsin C Inhibitors CTSB, CTSF, CTSG KDM4E 4622/4885ALDH1A1 2052/4885CYP1A2 941/4885
US-20080146458-A1 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF OXA1L, OGFOD1, CYP51A1 KDM4E 656/4885ALDH1A1 1117/4885CYP1A2 27/4885
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R KDM4E 622/4885ALDH1A1 1616/4885CYP1A2 686/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 KDM4E 1528/4885ALDH1A1 2628/4885CYP1A2 804/4885
US-20090264498-A1 Cathepsin C Inhibitors CTSF, CTSZ, CTSG KDM4E 4067/4885ALDH1A1 1313/4885CYP1A2 1500/4885

“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.