SCHEMBL851074

SCHEMBL851074

C[C@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
KLK5 Q9Y337 2/20 0.57
CTSS P25774 3/20 0.56
CTSK P43235 2/20 0.56
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
ACE P12821 1/20 0.54
APP P05067 3/20 0.51
PSEN1 P49768 3/20 0.49
PSEN2 P49810 3/20 0.49
APH1B Q8WW43 3/20 0.49
NCSTN Q92542 3/20 0.49
APH1A Q96BI3 3/20 0.49
PSENEN Q9NZ42 3/20 0.49
AKT1 P31749 1/20 0.49
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49

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
SCHEMBL13208509 1.00 ATM (0.59) ATMKLK5CTSSCTSKCTSL
SCHEMBL7421403 0.86 CYP2D6 (0.58) ATMKLK5CTSSCTSKCTSL
SCHEMBL6342945 0.84 ATM (0.57) ATMKLK5CTSSCTSKCTSL
SCHEMBL29117201 0.84 ATM (0.57) ATMKLK5CTSSCTSKCTSL
SCHEMBL11091464 0.84 ATM (0.57) ATMKLK5CTSSCTSKCTSL
SCHEMBL23699315 0.84 ATM (0.57) ATMKLK5CTSSCTSKCTSL
SCHEMBL23699313 0.84 ATM (0.57) ATMKLK5CTSSCTSKCTSL
SCHEMBL23699391 0.84 ATM (0.57) ATMKLK5CTSSCTSKCTSL
SCHEMBL15081404 0.84 ATM (0.57) ATMKLK5CTSSCTSKCTSL
SCHEMBL3676162 0.84 NPC1 (0.63) ATMKLK5CTSSCTSKCTSL

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 12 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-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

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 ATM 2353/4885KLK5 1334/4885CTSS 1557/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 ATM 2353/4885KLK5 1334/4885CTSS 1557/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 ATM 2353/4885KLK5 1334/4885CTSS 1557/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 ATM 2353/4885KLK5 1334/4885CTSS 1557/4885

“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.