SCHEMBL2945324

SCHEMBL2945324

O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 5/20 0.76
NR1H3 Q13133 2/20 0.76
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
ALDH1A1 P00352 3/20 0.57
MAPK1 P28482 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
RORC P51449 5/20 0.57
NR1H2 P55055 3/20 0.57
RORB Q92753 2/20 0.57
POLB P06746 2/20 0.56
NR1H4 Q96RI1 2/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NR1I2 O75469 2/20 0.52
FFAR4 Q5NUL3 2/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
FFAR1 O14842 1/20 0.51

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
SCHEMBL12334076 0.89 RORA (0.78) RORANR1H3CA1CA2MAPK1
SCHEMBL11419365 0.87 RORA (0.74) RORANR1H3CA1CA2ALDH1A1
SCHEMBL2942043 0.87 RORA (0.74) RORANR1H3ALDH1A1RORCNR1H2
SCHEMBL12334066 0.87 RORA (1.00) RORANR1H3CA1CA2ALDH1A1
SCHEMBL2415124 0.86 NR1H3 (1.00) RORANR1H3CA1CA2ALDH1A1
SCHEMBL21073158 0.85 RORC (0.63) RORANR1H3RORCNR1H4
SCHEMBL12334557 0.84 NR1H3 (0.84) RORANR1H3ALDH1A1CYP2C9RORC
SCHEMBL7577535 0.84 CA1 (0.65) CA1CA2ALDH1A1MAPK1CYP3A4
SCHEMBL11416348 0.83 RORA (0.73) RORANR1H3ALDH1A1MAPK1CYP3A4
SCHEMBL7501950 0.82 CA1 (0.81) CA1CA2ALDH1A1MAPK1CYP3A4

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 RORA 2055/4885NR1H3 1227/4885CA1 1204/4885

“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.