SCHEMBL10165495

SCHEMBL10165495

CCC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccnc3c(C(F)(F)F)cccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
HSD17B10 Q99714 2/20 0.47
THRB P10828 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 4/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 4/20 0.44
USP2 O75604 1/20 0.43
NOTUM Q6P988 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 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
SCHEMBL10165483 0.91 POLB (0.49) POLBHSD17B10THRBKMT2AMEN1
SCHEMBL10165465 0.86 POLB (0.53) POLBHSD17B10THRBKMT2AMEN1
SCHEMBL1091795 0.85 PKM (0.64) POLBKMT2AMEN1ALDH1A1PKM
SCHEMBL847819 0.83 PKM (0.61) POLBKMT2AMEN1ALDH1A1PKM
SCHEMBL3282255 0.83 NOTUM (0.49) KMT2AMEN1ALDH1A1NOTUMSMN1; SMN2
SCHEMBL16233330 0.82 NOTUM (0.48) KMT2AMEN1NOTUMSMN1; SMN2
SCHEMBL3282251 0.81 MEN1 (0.60) KMT2AMEN1ALDH1A1NOTUMLMNA
SCHEMBL1091007 0.81 PKM (0.49) POLBTHRBKMT2AMEN1ALDH1A1
SCHEMBL11912017 0.80 NOTUM (0.47) KMT2AMEN1NOTUMSMN1; SMN2
SCHEMBL1091028 0.77 MEN1 (0.46) POLBKMT2AMEN1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 US disclosed
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 US 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 (2 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-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B POLB 4688/4885HSD17B10 3276/4885THRB 2828/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B POLB 4688/4885HSD17B10 3276/4885THRB 2828/4885

“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.