SCHEMBL10165367

SCHEMBL10165367

CC(C)(C)C(=O)c1c[nH]c2cccc(F)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.46
FFAR1 O14842 1/20 0.46
HTR2A P28223 2/20 0.43
MAPK1 P28482 1/20 0.43
NR4A2 P43354 2/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
ALB P02768 1/20 0.40
IL2 P60568 1/20 0.40
PBRM1 Q86U86 1/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
SLC6A4 P31645 2/20 0.37
IGF1R P08069 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL2040347 0.86 MAPK1 (0.59) GPR84FFAR1HTR2AMAPK1NR4A2
SCHEMBL16234666 0.82 PBRM1 (0.54) GPR84FFAR1HTR2AMAPK1NR4A2
SCHEMBL28046327 0.81 NR4A2 (0.49) GPR84FFAR1HTR2AMAPK1NR4A2
SCHEMBL2034897 0.80 GPR84 (0.51) GPR84FFAR1HTR2ANR4A2HTR2C
SCHEMBL10083723 0.79 HTR2A (0.47) GPR84FFAR1HTR2AMAPK1NR4A2
SCHEMBL23160620 0.79 GPR84 (0.50) GPR84FFAR1HTR2AMAPK1NR4A2
SCHEMBL10321304 0.79 ALDH1A1 (0.54) GPR84FFAR1HTR2AMAPK1NR4A2
SCHEMBL2035795 0.78 NR4A2 (0.68) GPR84FFAR1HTR2ANR4A2HTR2C
SCHEMBL10203636 0.78 GPR84 (0.50) GPR84FFAR1HTR2ANR4A2HTR2C
SCHEMBL10078403 0.78 HTR2A (0.49) GPR84FFAR1HTR2AMAPK1NR4A2

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 6 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-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 GPR84 2256/4885FFAR1 3538/4885HTR2A 720/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B GPR84 2256/4885FFAR1 3538/4885HTR2A 720/4885

“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.