SCHEMBL10168532

SCHEMBL10168532

CC(C)Cc1ccc(F)c(C(C)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
KCNH2 Q12809 1/20 0.36
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
GRIN1 Q05586 6/20 0.35
GRIN2B Q13224 6/20 0.35
RXRA P19793 5/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
AR P10275 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL21260712 0.87 GABRA1 (0.42) GABRA1GABRB2PTPN7DUSP3HTR2A
SCHEMBL5018902 0.87 AR (0.44) GABRA1GABRB2PTPN7DUSP3TRPM8
SCHEMBL18266749 0.78 LOXL2 (0.40) KCNH2PTPN7DUSP3GRIN1GRIN2B
SCHEMBL2623873 0.77 GABRA1 (0.48) GABRA1GABRB2ARHTR2AHTR2B
SCHEMBL9176216 0.77 GABRA1 (0.48) GABRA1GABRB2ARHTR2AHTR2B
SCHEMBL18701030 0.76 GABRA1 (0.42) GABRA1GABRB2HTR2A
SCHEMBL6600224 0.76 KIF11 (0.49) GABRA1GABRB2HTR2AHTR2CHTR2B
SCHEMBL12615668 0.76 PTGS1 (0.39) GABRA1GABRB2ARHTR2A
SCHEMBL13863080 0.75 GABRA1 (0.41) GABRA1GABRB2PTPN7DUSP3RXRA
SCHEMBL8252056 0.73 GABRA1 (0.46) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 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 (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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 GABRA1 2275/4885GABRB2 1306/4885KCNH2 4492/4885

“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.