SCHEMBL835126

SCHEMBL835126

CC[C@H](NC(=O)OC(C)(C)C)C(=O)c1cccc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
CACNA1B Q00975 1/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CTSK P43235 5/20 0.45
CTSS P25774 5/20 0.45
PPARG P37231 4/20 0.45
PPARA Q07869 4/20 0.45
PARP1 P09874 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSB P07858 2/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43

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
SCHEMBL835125 1.00 TAS1R3 (0.49) TAS1R3TAS1R1CACNA1BCES2CES1
SCHEMBL833900 0.91 TAS1R3 (0.56) TAS1R3TAS1R1CACNA1BCES2CES1
SCHEMBL833899 0.91 TAS1R3 (0.56) TAS1R3TAS1R1CACNA1BCES2CES1
SCHEMBL30695634 0.84 GPR139 (0.50) TAS1R3TAS1R1CACNA1BCES2CES1
SCHEMBL10280267 0.84 GPR139 (0.50) TAS1R3TAS1R1CACNA1BCES2CES1
SCHEMBL15632172 0.84 GPR139 (0.50) TAS1R3TAS1R1CACNA1BCES2CES1
SCHEMBL851210 0.84 GPR139 (0.50) TAS1R3TAS1R1CACNA1BCES2CES1
SCHEMBL834064 0.83 PPARA (0.54) CTSKCTSSPPARGPPARACTSB
SCHEMBL834063 0.83 PPARA (0.54) CTSKCTSSPPARGPPARACTSB
SCHEMBL7048516 0.80 CTSS (0.54) CES2CES1CTSKCTSSNPC1

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 19 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
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
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-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US 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-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 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-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 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
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 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 (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 TAS1R3 3302/4885TAS1R1 3378/4885CACNA1B 2319/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 TAS1R3 3302/4885TAS1R1 3378/4885CACNA1B 2319/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 TAS1R3 3302/4885TAS1R1 3378/4885CACNA1B 2319/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 TAS1R3 3302/4885TAS1R1 3378/4885CACNA1B 2319/4885

“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.