SCHEMBL2507124

SCHEMBL2507124

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
CTSS P25774 8/20 0.55
CTSK P43235 7/20 0.55
CTSB P07858 2/20 0.55
CTSL P07711 1/20 0.55
APP P05067 4/20 0.50
ACE P12821 1/20 0.50
SYK P43405 1/20 0.48
PPARA Q07869 1/20 0.48
KLK5 Q9Y337 1/20 0.47

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
SCHEMBL15415630 1.00 ATM (0.57) ATMCTSSCTSKCTSBCTSL
SCHEMBL15415629 1.00 ATM (0.57) ATMCTSSCTSKCTSBCTSL
SCHEMBL18765 0.93 CTSS (0.59) ATMCTSSCTSKCTSBCTSL
SCHEMBL30867 0.93 CTSS (0.59) ATMCTSSCTSKCTSBCTSL
SCHEMBL28572952 0.93 CTSS (0.59) ATMCTSSCTSKCTSBCTSL
SCHEMBL45753 0.93 CTSS (0.59) ATMCTSSCTSKCTSBCTSL
SCHEMBL30865 0.93 CTSS (0.59) ATMCTSSCTSKCTSBCTSL
SCHEMBL13566632 0.93 CTSS (0.59) ATMCTSSCTSKCTSBCTSL
SCHEMBL29373190 0.93 CTSS (0.59) ATMCTSSCTSKCTSBCTSL
SCHEMBL30866 0.93 CTSS (0.59) ATMCTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791098-B2 Bioactive pre-tubulysins and use thereof UNIVERSITAET DES SAARLANDES (DE) 2014-07-29 US disclosed
US-8791098-B2 Bioactive pre-tubulysins and use thereof UNIVERSITAET DES SAARLANDES (DE) 2014-07-29 US disclosed
US-8791098-B2 Bioactive pre-tubulysins and use thereof UNIVERSITAET DES SAARLANDES (DE) 2014-07-29 US disclosed
US-20110245295-A1 BIOACTIVE PRE-TUBULYSINS AND USE THEREOF UNIVERSITAT DES SAARLANDES (DE) 2011-10-06 US disclosed
US-20110245295-A1 BIOACTIVE PRE-TUBULYSINS AND USE THEREOF UNIVERSITAT DES SAARLANDES (DE) 2011-10-06 US disclosed
US-20110245295-A1 BIOACTIVE PRE-TUBULYSINS AND USE THEREOF UNIVERSITAT DES SAARLANDES (DE) 2011-10-06 US disclosed
EP-2174947-A1 Bioactive pre-tubulysins and use thereof Universität des Saarlandes (DE) 2010-04-14 EP disclosed
WO-2010034724-A1 BIOACTIVE PRE-TUBULYSINS AND USE THEREOF Universität des Saarlandes (DE) 2010-04-01 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 (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-20110245295-A1 BIOACTIVE PRE-TUBULYSINS AND USE THEREOF VIP, REN, KLK5 ATM 4780/4885CTSS 428/4885CTSK 196/4885

“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.