SCHEMBL836148

SCHEMBL836148

CCCC(NC(=O)OC(C)(C)C)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.55
CTSS P25774 7/20 0.55
CTSL P07711 2/20 0.53
PPARA Q07869 5/20 0.52
PPARG P37231 4/20 0.52
PPARD Q03181 2/20 0.52
PRSS1 P07477 1/20 0.50
CTSG P08311 1/20 0.50
CTRB1 P17538 1/20 0.50
CMA1 P23946 1/20 0.50
CTSB P07858 1/20 0.49
JAK3 P52333 1/20 0.48
BTK Q06187 1/20 0.48

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
SCHEMBL836149 1.00 CTSK (0.55) CTSKCTSSCTSLPPARAPPARG
SCHEMBL834063 0.89 PPARA (0.54) CTSKCTSSCTSLPPARAPPARG
SCHEMBL834064 0.89 PPARA (0.54) CTSKCTSSCTSLPPARAPPARG
Hydrochloric Acid SCHEMBL835957 0.87 CTSK (0.48) CTSKCTSSCTSLPPARAPPARG
SCHEMBL3744555 0.86 PPARA (0.54) CTSKCTSSCTSLPPARAPPARG
SCHEMBL3743249 0.86 PPARA (0.54) CTSKCTSSCTSLPPARAPPARG
SCHEMBL14971373 0.84 CTSK (0.49) CTSKCTSSCTSLPPARAPPARG
SCHEMBL14971375 0.84 CTSK (0.49) CTSKCTSSCTSLPPARAPPARG
SCHEMBL14971372 0.84 CTSK (0.49) CTSKCTSSCTSLPPARAPPARG
SCHEMBL833900 0.84 TAS1R3 (0.56) CTSKCTSSCTSLPPARAPPARG

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-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 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 (4 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 CTSK 659/4885CTSS 1557/4885CTSL 2515/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CTSK 659/4885CTSS 1557/4885CTSL 2515/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CTSK 659/4885CTSS 1557/4885CTSL 2515/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CTSK 659/4885CTSS 1557/4885CTSL 2515/4885

“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.