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SCHEMBL10165451

SCHEMBL10165451

COC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccc(C(F)(F)F)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.45
▸ RORC P51449 2/20 0.44
▸ KCNQ3 O43525 2/20 0.43
▸ KCNQ2 O43526 2/20 0.43
▸ KCNQ4 P56696 2/20 0.43
▸ KCNQ5 Q9NR82 2/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ AVPR2 P30518 1/20 0.41
▸ GPR27 Q9NS67 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL10165420 0.85 MTNR1A (0.48) KMT2AMEN1LMNAPOLBTP53
SCHEMBL10165494 0.85 TRAF6 (0.46) RORCSMN1; SMN2ALDH1A1POLBCA2
SCHEMBL10165422 0.84 NPY5R (0.44) RORCKMT2AMEN1LMNASMN1; SMN2
SCHEMBL10165442 0.81 RORC (0.48) TRPA1RORCKMT2ALMNASMN1; SMN2
SCHEMBL10165439 0.81 GPR27 (0.40) RORCKMT2AMEN1LMNAPOLB
SCHEMBL4876125 0.81 GPR27 (0.40) RORCKMT2AMEN1LMNAPOLB
SCHEMBL4876121 0.81 GPR27 (0.40) RORCKMT2AMEN1LMNAPOLB
SCHEMBL9972249 0.80 MEN1 (0.55) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL10165427 0.80 KCNA5 (0.46) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL10165440 0.79 RORC (0.48) RORCSMN1; SMN2ALDH1A1TP53MAPT

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 TRPA1 83/4885RORC 4749/4885KCNQ3 64/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B TRPA1 83/4885RORC 4749/4885KCNQ3 64/4885

“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.