SCHEMBL850925

SCHEMBL850925

C[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB1 P18505 1/20 0.59
GABRB2 P47870 1/20 0.59
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.45
TRPA1 O75762 1/20 0.45
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KAT6A Q92794 1/20 0.41
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40

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
SCHEMBL23619006 0.83 PPARA (0.48) GABRB1GABRB2CTSBCTSSCTSK
SCHEMBL15432503 0.83 PPARA (0.48) GABRB1GABRB2CTSBCTSSCTSK
SCHEMBL3740636 0.83 PPARA (0.48) GABRB1GABRB2CTSBCTSSCTSK
SCHEMBL443042 0.81 HDAC4 (0.50) GABRB1GABRB2KDM4EGAAHPGD
SCHEMBL413156 0.81 HDAC4 (0.50) GABRB1GABRB2KDM4EGAAHPGD
SCHEMBL30695654 0.81 CTSK (0.50) GABRB1GABRB2CTSBCTSSCTSK
SCHEMBL15632172 0.80 GPR139 (0.50) KDM4EHPGDALDH1A1TRPA1CES2
SCHEMBL10280267 0.80 GPR139 (0.50) KDM4EHPGDALDH1A1TRPA1CES2
SCHEMBL30511512 0.80 KDM4E (0.67) GABRB1GABRB2CTSBCTSSCTSK
SCHEMBL4320299 0.80 KDM4E (0.67) GABRB1GABRB2CTSBCTSSCTSK

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 14 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
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-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-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
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 GABRB1 2367/4885GABRB2 1777/4885CTSB 1127/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 GABRB1 2367/4885GABRB2 1777/4885CTSB 1127/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 GABRB1 2367/4885GABRB2 1777/4885CTSB 1127/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 GABRB1 2367/4885GABRB2 1777/4885CTSB 1127/4885

“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.