SCHEMBL1756243

SCHEMBL1756243

CCC(C#N)(CC)c1ccc(C(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.42
CYP4A11 Q02928 1/20 0.41

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
SCHEMBL2181205 0.80 DGAT1 (0.39) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL14488020 0.80 MAPT (0.49) MAPTCA1CA2TDP1CA12
SCHEMBL1756221 0.78 CA1 (0.50) MAPTCA1CA2TDP1CA12
SCHEMBL1794289 0.76 MAPT (0.56) MAPTCA1CA2TDP1CA12
SCHEMBL13713512 0.76 MAPT (0.56) MAPTCA1CA2TDP1CA12
SCHEMBL29216787 0.75 MAPT (0.47) MAPTCA1CA2TDP1CA12
SCHEMBL13144227 0.75 MAPT (0.55) MAPTCA1CA2TDP1CA12
Cyanate SCHEMBL28803587 0.74 CA1 (0.64) MAPTCA1CA2TDP1CA12
Water SCHEMBL22720573 0.74 CA1 (0.76) MAPTCA1CA2TDP1CA12
Bromoethane SCHEMBL27454009 0.73 NOTUM (0.57) MAPTCA1CA2TDP1CA12

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-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US disclosed
US-8722901-B2 Carboxy oxazole or thiazole compounds as DGAT-1 inhibitors useful for the treatment of obesity Piramal Enterprises Limited (IN) 2014-05-13 US disclosed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US disclosed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
EP-2496564-A2 HETEROARYL COMPOUNDS AS DGAT-1 INHIBITORS Piramal Life Sciences Limited (IN) 2012-09-12 EP disclosed
US-20120214854-A1 CARBOXY OXAZOLE OR THIAZOLE COMPOUNDS AS DGAT- 1 INHIBITORS USEFUL FOR THE TREATMENT OF OBESITY Piramal Enterprises Limited (IN) 2012-08-23 US disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO disclosed
WO-2011055289-A2 HETEROARYL COMPOUNDS AS DGAT-1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-05-12 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-20120214854-A1 CARBOXY OXAZOLE OR THIAZOLE COMPOUNDS AS DGAT- 1 INHIBITORS USEFUL FOR THE TREATMENT OF OBESITY DGAT1, DGAT2, DLAT MAPT 2573/4885CA1 4364/4885CA2 2851/4885
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE DGAT1, DGAT2, LCAT MAPT 116/4885CA1 4392/4885CA2 2988/4885

“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.