SCHEMBL2944180

SCHEMBL2944180

N#CCCCCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 0.56
NR1I2 O75469 4/20 0.56
RORA P35398 4/20 0.56
NR1H2 P55055 4/20 0.56
RORB Q92753 4/20 0.56
NR1H4 Q96RI1 4/20 0.56
MLYCD O95822 1/20 0.53
PSEN1 P49768 4/20 0.53
PSEN2 P49810 4/20 0.53
APH1B Q8WW43 4/20 0.53
NCSTN Q92542 4/20 0.53
APH1A Q96BI3 4/20 0.53
PSENEN Q9NZ42 4/20 0.53
NR1H3 Q13133 4/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.50
RXRA P19793 1/20 0.50
SREBF1 P36956 1/20 0.50
NR1I3 Q14994 1/20 0.50
HSD11B1 P28845 1/20 0.46

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
SCHEMBL2938741 0.79 RORC (0.77) RORCNR1I2RORANR1H2RORB
SCHEMBL2940867 0.78 RORC (0.49) RORCNR1I2RORANR1H2RORB
SCHEMBL7016049 0.75 RORC (0.76) RORCNR1I2RORANR1H2RORB
SCHEMBL7013542 0.73 RORC (0.76) RORCNR1I2RORANR1H2RORB
SCHEMBL16731518 0.71 RORC (0.81) RORCNR1I2RORANR1H2RORB
SCHEMBL2938172 0.70 MLYCD (1.00) MLYCD
SCHEMBL13239428 0.69 ALDH1A1 (0.57) RORCRORANR1H3ALDH1A1HSD11B1
SCHEMBL14732108 0.69 RORC (0.79) RORCNR1I2RORANR1H2RORB
SCHEMBL12334077 0.68 RORC (0.81) RORCNR1I2RORANR1H2RORB
T091317 SCHEMBL457231 0.67 RORC (1.00) RORCNR1I2RORANR1H2RORB

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 RORC 2163/4885NR1I2 2876/4885RORA 2055/4885

“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.