SCHEMBL851212

SCHEMBL851212

CC(NC(=O)OC(C)(C)C)[C@H](O)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.42
CTSK P43235 3/20 0.42
CXCL8 P10145 1/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
HIF1A Q16665 1/20 0.41
TRPA1 O75762 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
BLM P54132 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL12938363 1.00 CTSS (0.42) CTSSCTSKCXCL8ADRB2ADRB1
SCHEMBL16256020 0.87 MITF (0.41) CTSSCTSKCXCL8TRPA1CTSL
SCHEMBL7647992 0.84 CTSS (0.43) CTSSCTSKCTSLCTSBATM
SCHEMBL3401824 0.84 TP53 (0.45) TRPA1CTSLALDH1A1MAPT
SCHEMBL30695639 0.84 TP53 (0.45) TRPA1CTSLALDH1A1MAPT
SCHEMBL5575572 0.81 CTSS (0.46) CTSSCTSKCXCL8ADRB2ADRB1
SCHEMBL7442868 0.81 CTSS (0.49) CTSSCTSKMAPT
SCHEMBL16256081 0.80 TP53 (0.46) CTSSCTSKCTSLCTSBALDH1A1
SCHEMBL13211540 0.80 SLC6A4 (0.54) CTSSCTSKCYP2D6NFKB1ATM
SCHEMBL22433704 0.80 SLC6A4 (0.54) CTSSCTSKCYP2D6NFKB1ATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CTSS 1557/4885CTSK 659/4885CXCL8 2034/4885

“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.