SCHEMBL13080893

SCHEMBL13080893

CCCCOCC(C)(C)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
CYP3A4 P08684 1/20 0.35
NPC1 O15118 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 2/20 0.34
ACHE P22303 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL10682128 0.88 DGAT1 (0.35) TSHRALDH1A1CA1CA2MAPK1
SCHEMBL30805232 0.84 CYP4A11 (0.41) TSHR
SCHEMBL9450186 0.84 TSHR (0.40) TSHRCES2CES1ALDH1A1ATM
SCHEMBL16869115 0.82 ALDH1A1 (0.44) TSHRCES2CES1ALDH1A1PLA2G2C
SCHEMBL16174064 0.82 CYP3A4 (0.57) TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL13391772 0.82 ALDH1A1 (0.43) TSHRALDH1A1NPC1RAB9AHPGD
SCHEMBL27959697 0.81 ALDH1A1 (0.45) TSHRCES2CES1ALDH1A1ATM
SCHEMBL20730298 0.81 CYP4F2 (0.46) CES2CES1MAPTACHE
SCHEMBL17574066 0.80 DGAT1 (0.42) TSHRALDH1A1HSD17B10
SCHEMBL5852063 0.79 TSHR (0.43) TSHRCES2CES1ALDH1A1ATM

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
US-20170240547-A1 IMIDAZO(4,5-B) PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2017-08-24 US disclosed
US-9650376-B2 Imidazo(4,5-B) pyridin-2-yl amides as KV7 channel activators KNOPP BIOSCIENCES LLC (US) 2017-05-16 US disclosed
EP-2370429-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2016-04-20 EP disclosed
US-8372859-B2 CGRP receptor antagonists with tertiary amide, sulfonamide, carbamate and urea end groups Merck, Sharp & Dohme Corp. (US) 2013-02-12 US disclosed
US-8299074-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-30 US disclosed
US-20110312963-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2011-12-22 US disclosed
US-20100292263-A1 CGRP RECEPTOR ANTAGONISTS WITH TERTIARY AMIDE, SULFONAMIDE, CARBAMITE AND UREA GROUPS MERCK SHARP & DOHME LLC 2010-11-18 US disclosed
WO-2010067130-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2010-06-17 WO disclosed
WO-2008127584-A1 CGRP RECEPTOR ANTAGONISTS WITH TERTIARY AMIDE, SULFONAMIDE, CARBAMATE AND UREA END GROUPS MERCK & CO., INC. (US) 2008-10-23 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 (3 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-20110312963-A1 P38 MAP KINASE INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 TSHR 3963/4885CES2 4225/4885CES1 2413/4885
US-20170240547-A1 IMIDAZO(4,5-B) PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS KCNA7, KCNA2, KCNK17 TSHR 1996/4885CES2 2365/4885CES1 1744/4885
US-20100292263-A1 CGRP RECEPTOR ANTAGONISTS WITH TERTIARY AMIDE, SULFONAMIDE, CARBAMITE AND UREA GROUPS CALCR, QRFPR, CALCRL TSHR 199/4885CES2 1202/4885CES1 1201/4885

“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.