SCHEMBL797442

SCHEMBL797442

O=C1CCc2cc(Cl)c(C(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOB P27338 3/20 0.37
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHEK1 O14757 1/20 0.35
FLT3 P36888 1/20 0.35
HSD17B1 P14061 2/20 0.34
NOTUM Q6P988 1/20 0.34
MAOA P21397 2/20 0.33
KDR P35968 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL31591225 0.78 PBRM1 (0.47) PBRM1CASP1CASP7HSD17B10MAOB
SCHEMBL1512735 0.78 PBRM1 (0.47) PBRM1CASP1CASP7HSD17B10MAOB
SCHEMBL793777 0.77 PARP10 (0.55) KDM4EGRM5
SCHEMBL5200589 0.76 HSD17B1 (0.44) PBRM1CASP1CASP7HSD17B10MAOB
SCHEMBL14430312 0.72 HSD17B1 (0.44) PBRM1CASP1CASP7HSD17B10MAOB
SCHEMBL21962019 0.72 PBRM1 (0.41) PBRM1CASP1CASP7HSD17B10MAOB
SCHEMBL31511760 0.72 PBRM1 (0.41) PBRM1CASP1CASP7HSD17B10MAOB
SCHEMBL6206980 0.72 CASP1 (0.50) PBRM1CASP1CASP7HSD17B10MAOB
SCHEMBL2907226 0.72 PBRM1 (0.41) PBRM1CASP1CASP7HSD17B10MAOB
SCHEMBL6206319 0.69 PTGS2 (0.39) PBRM1CASP1CASP7HSD17B10MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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 (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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 PBRM1 3376/4885CASP1 2057/4885CASP7 2717/4885

“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.