SCHEMBL798624

SCHEMBL798624

CCOC(=O)NCCc1ccc(Cl)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GLA P06280 1/20 0.58
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
KCNH2 Q12809 1/20 0.42
CYP4F2 P78329 1/20 0.42

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
SCHEMBL793096 0.90 KMT2A (0.57) TSHRKMT2ASMN1; SMN2GLAHDAC3
SCHEMBL15467170 0.89 KMT2A (0.61) TSHRKMT2ASMN1; SMN2GLAHDAC3
SCHEMBL793908 0.89 SMN1; SMN2 (0.74) TSHRKMT2ASMN1; SMN2GLAHDAC3
SCHEMBL29204006 0.84 GLA (0.63) KMT2AGLA
SCHEMBL29572296 0.84 GLA (0.63) KMT2AGLA
SCHEMBL794442 0.84 KMT2A (0.63) TSHRKMT2ASMN1; SMN2GLAMEN1
SCHEMBL15471849 0.84 TSHR (0.59) TSHRKMT2ASMN1; SMN2GLAHDAC3
SCHEMBL15467056 0.83 KMT2A (0.54) TSHRKMT2ASMN1; SMN2GLAHDAC3
SCHEMBL29339723 0.81 KMT2A (0.70) KMT2ASMN1; SMN2GLAHDAC3HDAC4
SCHEMBL793743 0.81 KMT2A (0.70) TSHRKMT2ASMN1; SMN2GLAHDAC3

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 TSHR 3077/4885KMT2A 660/4885SMN1; SMN2 4109/4885

“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.