SCHEMBL2945129

SCHEMBL2945129

N#Cc1cccc(CS(=O)(=O)c2nccn2-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RORC P51449 6/20 0.43
NR1H3 Q13133 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
VNN1 O95497 1/20 0.36
AKT1 P31749 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
NR1I2 O75469 1/20 0.36
RORA P35398 1/20 0.36
NR1H2 P55055 1/20 0.36
RORB Q92753 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
MLYCD O95822 2/20 0.36
NR3C1 P04150 1/20 0.35
CYP19A1 P11511 1/20 0.34

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
SCHEMBL6843949 0.79 L3MBTL1 (0.52) MEN1KMT2ARORCNR1H3MAPT
SCHEMBL2157445 0.66 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTVNN1
Hydrochloric Acid SCHEMBL28331371 0.65 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTVNN1
SCHEMBL6011866 0.65 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTVNN1
SCHEMBL1500860 0.62 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTMRGPRX4
SCHEMBL12334075 0.62 NR1H3 (0.66) RORCNR1H3RORANR1H2RORB
SCHEMBL30421832 0.62 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPT
SCHEMBL21602417 0.62 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPT
SCHEMBL14172954 0.61 L3MBTL1 (0.57) MEN1KMT2ARORCNR1H3MAPT
SCHEMBL26964239 0.61 MCL1 (0.42) KMT2AALDH1A1L3MBTL1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4503232-B2 2010-07-14 JP claimed
JP-2004521113-A 2004-07-15 JP claimed
US-20040087627-A1 Methods for the treatment of diseases using malonyl-coa decarbox ylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-06 US claimed
EP-1353662-A2 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-10-22 EP claimed
WO-2002058690-A2 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-01 WO claimed

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-20040087627-A1 Methods for the treatment of diseases using malonyl-coa decarbox ylase inhibitors ME2, PC, ACACA MEN1 1510/4885KMT2A 670/4885RORC 2163/4885

“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.