SCHEMBL837308

SCHEMBL837308

CC(C)(C#N)c1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GABRA1 P14867 7/20 0.41
GABRG2 P18507 7/20 0.41
GABRB3 P28472 7/20 0.41
GABRB2 P47870 4/20 0.41
GABRB1 P18505 2/20 0.41
TP53 P04637 1/20 0.39
CASR P41180 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.35
USP7 Q93009 1/20 0.35

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
SCHEMBL2270300 0.82 CYP3A4 (0.50) TSHRCYP3A4MAPK1TDP1GABRA1
SCHEMBL2819804 0.81 CYP3A4 (0.44) TSHRCYP3A4TDP1MEN1KMT2A
SCHEMBL307319 0.81 PYCR1 (0.34) TSHRCYP3A4MAPK1TDP1
SCHEMBL9458157 0.81 IDO1 (0.33) TSHRCYP3A4MAPK1TDP1
SCHEMBL8109165 0.81 HDAC3 (0.38) TSHRCYP3A4MAPK1TDP1GABRA1
SCHEMBL4573376 0.79 AR (0.43) MEN1KMT2A
Hydrochloric Acid SCHEMBL27981707 0.79 CYP3A4 (0.47) TSHRCYP3A4MAPK1TDP1GABRA1
SCHEMBL3654239 0.79 TSHR (0.60) TSHRCYP3A4MAPK1TDP1TP53
SCHEMBL20382700 0.78 CYP3A4 (0.41) TSHRCYP3A4MAPK1TDP1GABRA1
SCHEMBL3686783 0.78 SLC6A4 (0.39) TSHRMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018042342-A1 1,2,3-BENZOTRIAZOLE DERIVATIVES AS ROR GAMMA T MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-03-08 WO disclosed
WO-2018042342-A1 1,2,3-BENZOTRIAZOLE DERIVATIVES AS ROR GAMMA T MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-03-08 WO disclosed
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 US disclosed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US disclosed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP disclosed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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 (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-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R TSHR 69/4885CYP3A4 818/4885MAPK1 793/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R TSHR 69/4885CYP3A4 818/4885MAPK1 793/4885

“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.