SCHEMBL851513

SCHEMBL851513

C[C@H](NC(=O)OCc1ccccc1)C(=O)COc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP3 P42574 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
KCNA5 P22460 1/20 0.42
ELANE P08246 1/20 0.42
MGLL Q99685 1/20 0.42
OPRK1 P41145 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
SCHEMBL837058 0.82 SMN1; SMN2 (0.47) MEN1LMNAKMT2ACASP3SMN1; SMN2
SCHEMBL851227 0.82 ATM (0.43) CTSKCTSLCTSSATMCASP3
SCHEMBL5898498 0.80 CTSK (0.48) CTSKCTSLCTSBCTSSATM
SCHEMBL5898313 0.80 CTSK (0.48) CTSKCTSLCTSBCTSSATM
SCHEMBL9513676 0.77 CA1 (0.49) CTSKATMMEN1LMNAKMT2A
SCHEMBL3644164 0.74 CTSK (0.57) CTSKCTSLCTSBCTSSATM
SCHEMBL25840223 0.74 SMN1; SMN2 (0.46) MEN1LMNAKMT2ASMN1; SMN2FFAR1
SCHEMBL12196275 0.73 CTSK (0.56) CTSKCTSLCTSBCTSSATM
SCHEMBL6437509 0.73 CTSK (0.56) CTSKCTSLCTSBCTSSATM
SCHEMBL2509736 0.73 CTSK (0.56) CTSKCTSLCTSBCTSSATM

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 CTSK 659/4885CTSL 2515/4885CTSB 1127/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CTSK 659/4885CTSL 2515/4885CTSB 1127/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CTSK 659/4885CTSL 2515/4885CTSB 1127/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CTSK 659/4885CTSL 2515/4885CTSB 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.