SCHEMBL701798

SCHEMBL701798

CC(C)(CC(=O)N1CCNCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
CHKA P35790 1/20 0.38
HPGD P15428 1/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36

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
SCHEMBL3318512 0.84 GAA (0.40) GAACA2CA12CA1CA9
SCHEMBL5756527 0.82 ATM (0.45) GAACYP4F2CYP4A11
SCHEMBL1829291 0.82 CA2 (0.43) GAACA2CA12CA1CA9
SCHEMBL699752 0.81 ALDH1A1 (0.46) GAA
SCHEMBL12583186 0.81 GAA (0.42) GAACA2CA12CA1CA9
Trifluoroacetic Acid SCHEMBL25195860 0.81 PKM (0.44) GAACA2CA12CA1CA9
Hydrochloric Acid SCHEMBL29165308 0.79 HPGD (0.42) GAACA2CA12CA1CA9
SCHEMBL22248571 0.79 GAA (0.41) GAACA2CA12CA1CA9
SCHEMBL27512239 0.79 GAA (0.41) GAACA2CA12CA1CA9
SCHEMBL12335992 0.78 GAA (0.40) GAACA2CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US claimed
EP-2367817-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-09-28 EP claimed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO claimed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US claimed

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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT GAA 191/4885CA2 3096/4885CA12 4623/4885

“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.