SCHEMBL793534

SCHEMBL793534

CCOC(=O)NCCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.70
KMT2A Q03164 1/20 0.70
EPHX2 P34913 3/20 0.55
LTA4H P09960 1/20 0.55
POLB P06746 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
TRPV1 Q8NER1 4/20 0.51
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49

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
SCHEMBL2094064 0.86 EPHX2 (0.60) GLAKMT2AEPHX2POLBPPARG
SCHEMBL6989302 0.84 CNR1 (0.58) GLAKMT2AEPHX2LTA4HHDAC3
SCHEMBL792986 0.83 KMT2A (0.65) GLAKMT2AEPHX2LTA4HPOLB
SCHEMBL793998 0.82 GLA (1.00) GLAKMT2AHDAC3HDAC4HDAC1
SCHEMBL31481202 0.82 SMN1; SMN2 (0.67) EPHX2LTA4HTRPV1LMNAMAPT
SCHEMBL29339723 0.81 KMT2A (0.70) GLAKMT2APOLBHDAC3HDAC4
SCHEMBL5705148 0.81 KMT2A (0.74) GLAKMT2AEPHX2POLBHDAC3
SCHEMBL14215541 0.80 GLA (0.74) GLAKMT2AEPHX2HDAC3HDAC4
SCHEMBL27422448 0.80 EPHX2 (0.57) EPHX2LTA4HTRPV1LMNANR1H4
SCHEMBL6985074 0.80 EPHX2 (0.60) EPHX2LTA4HTRPV1NR1H4SMN1; SMN2

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 GLA 2244/4885KMT2A 660/4885EPHX2 239/4885

“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.