SCHEMBL2707227

SCHEMBL2707227

CSc1nc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.63
KEAP1 Q14145 1/20 0.59
EPHX2 P34913 1/20 0.59
SCN4A P35499 1/20 0.59
PKM P14618 2/20 0.52
DYRK1A Q13627 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CSNK1D P48730 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
CYP2D6 P10635 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
ACP1 P24666 1/20 0.44

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
SCHEMBL14934114 0.88 KEAP1 (0.56) PPARAKEAP1EPHX2SCN4APKM
SCHEMBL30602944 0.87 SMN1; SMN2 (0.59) PPARAKEAP1EPHX2SCN4APKM
SCHEMBL3660244 0.87 SMN1; SMN2 (0.59) PPARAKEAP1EPHX2SCN4APKM
SCHEMBL13483828 0.85 KEAP1 (0.61) PPARAKEAP1PKMSMN1; SMN2NPSR1
SCHEMBL2711494 0.78 KEAP1 (0.65) KEAP1PKMDYRK1ASMN1; SMN2NPSR1
SCHEMBL11956363 0.78 EPHX2 (0.65) PPARAEPHX2SCN4APKMDYRK1A
SCHEMBL14858949 0.77 QPCT (0.48) PPARAKEAP1EPHX2SCN4APKM
SCHEMBL3075842 0.76 EPHX2 (0.67) PPARAEPHX2SCN4ADYRK1ACSNK1D
SCHEMBL7867881 0.76 KEAP1 (0.67) KEAP1PKMDYRK1ASMN1; SMN2NPSR1
SCHEMBL30602949 0.76 KEAP1 (0.67) KEAP1PKMDYRK1ASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 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 (3 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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 PPARA 901/4885KEAP1 2031/4885EPHX2 3108/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 PPARA 901/4885KEAP1 2031/4885EPHX2 3108/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 PPARA 1294/4885KEAP1 1612/4885EPHX2 3700/4885

“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.