SCHEMBL798802

SCHEMBL798802

CCOC(=O)NCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.60
CNR1 P21554 1/20 0.55
HDAC1 Q13547 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
KMT2A Q03164 3/20 0.52
GLA P06280 1/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL792986 0.83 KMT2A (0.65) THRBCNR1HDAC1HDAC8HDAC3
SCHEMBL4536310 0.83 CNR1 (0.62) CNR1HDAC1HDAC8KMT2AKDM4E
SCHEMBL14241862 0.82 MTNR1A (0.62) CNR1HDAC1HDAC8KMT2AKDM4E
SCHEMBL27087783 0.82 HDAC3 (0.56) CNR1HDAC1HDAC8HDAC3HDAC4
SCHEMBL6989302 0.82 CNR1 (0.58) CNR1HDAC1HDAC8HDAC3HDAC4
SCHEMBL15466955 0.82 HDAC3 (0.59) CNR1HDAC1HDAC8HDAC3HDAC4
SCHEMBL17689393 0.82 CNR1 (0.61) CNR1HDAC1HDAC8KMT2AKDM4E
SCHEMBL19403914 0.82 CNR1 (0.71) CNR1HDAC1HDAC8HDAC3HDAC4
SCHEMBL16839696 0.81 KDM4E (0.55) THRBCNR1HDAC1HDAC8KMT2A
SCHEMBL12885093 0.81 SPR (0.62) HDAC1HDAC8HDAC3HDAC4HDAC7

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 4 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-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

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 THRB 2084/4885CNR1 1362/4885HDAC1 316/4885

“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.