SCHEMBL1914441

SCHEMBL1914441

Cc1ccc2cccc(S)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.59
CCR1 P32246 1/20 0.58
RAB9A P51151 1/20 0.58
CCR5 P51681 1/20 0.58
PSMD14 O00487 3/20 0.52
COPS5 Q92905 3/20 0.52
PARP1 P09874 1/20 0.50
GLO1 Q04760 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP1A2 P05177 1/20 0.45
BDKRB2 P30411 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
AGTR1 P30556 1/20 0.42
PAX8 Q06710 1/20 0.42
SLC40A1 Q9NP59 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2115749 0.77 CCR1 (0.64) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL806441 0.77 CCR1 (0.64) METAP2CCR1RAB9ACCR5PARP1
Neocuproine SCHEMBL18047476 0.76 CCR1 (0.88) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL27782197 0.76 CCR1 (0.61) METAP2CCR1RAB9ACCR5PARP1
Neocuproine SCHEMBL11672280 0.75 CCR1 (1.00) METAP2CCR1RAB9ACCR5PARP1
Neocuproine SCHEMBL29367091 0.75 CCR1 (1.00) METAP2CCR1RAB9ACCR5PARP1
Neocuproine SCHEMBL124563 0.75 CCR1 (1.00) METAP2CCR1RAB9ACCR5PARP1
Neocuproine SCHEMBL29639703 0.75 CCR1 (1.00) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL30019238 0.75 METAP2 (0.55) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL14193973 0.75 METAP2 (0.55) METAP2CCR1RAB9ACCR5PARP1

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005735-B2 Inhibitors of RPN11 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-06-26 US disclosed
EP-2516491-B1 TI CATALYST SYSTEM COMPRISING SUBSTITUTED CYCLOPENTADIENYL, AMIDINE AND DIENE LIGAND Arlanxeo Netherlands Bv (NL) 2017-06-21 EP disclosed
WO-2017031255-A1 INHIBITORS OF RPN11 CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-02-23 WO disclosed
US-20170050931-A1 INHIBITORS OF RPN11 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-02-23 US disclosed
US-20170050931-A1 INHIBITORS OF RPN11 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-02-23 US disclosed
US-9315594-B2 Titanium-catalyst system comprising substituted cyclopentadienyl, guanidine and diene ligands LANXESS ELASTOMERS B.V. (NL) 2016-04-19 US disclosed
EP-1651690-B1 PROCESS FOR THE PREPARATION OF A POLYOLEFIN LANXESS ELASTOMERS BV (NL) 2015-07-01 EP disclosed
US-8957170-B2 Ti catalyst systems comprising substituted cyclopentadienyl, amidine and diene ligand LANXESS DEUTSCHLAND GMBH (DE) 2015-02-17 US disclosed
US-20140296458-A1 TITANIUM-CATALYST SYSTEM COMPRISING SUBSTITUTED CYCLOPENTADIENYL, GUANIDINE AND DIENE LIGANDS LANXESS ELASTOMERS B.V. (NL) 2014-10-02 US disclosed
US-20140249283-A1 BORANE ACTIVATED TITANIUM CATALYST SYSTEM COMPRISING GUANIDINE AND DIENE LIGANDS LANXESS ELASTOMERS B.V. (NL) 2014-09-04 US disclosed
WO-2005090418-A1 POLIMERIZATION CATALYST COMPRISING AN AMIDINE LIGAND DSM IP ASSETS B.V. (NL) 2005-09-29 WO disclosed
EP-1535936-A1 Improved method of preparing a hydrocarbylated metal-organic compound DSM IP Assets B.V. (NL) 2005-06-01 EP disclosed
WO-2005014664-A1 PROCESS FOR THE PREPARATION OF A METAL-ORGANIC COMPOUND COMPRISING AT LEAST ONE IMINE LIGAND DSM IP ASSETS B.V. (NL) 2005-02-17 WO disclosed
WO-2005014601-A2 PROCESS FOR THE PREPARATION OF A POLYOLEFIN DSM IP ASSETS B.V. (NL) 2005-02-17 WO disclosed
WO-2005014666-A1 PROCESS FOR THE PREPARATION OF A METAL-ORGANIC COMPOUND COMPRISING AT LEAST ONE IMINE LIGAND DSM IP ASSETS B.V. (NL) 2005-02-17 WO disclosed
WO-2005014663-A1 PROCESS FOR THE PREPARATION OF AN METALLOORGANIC COMPOUND COMPRISING AT LEAST ONE IMINE LIGAND DSM IP ASSETS B.V. (NL) 2005-02-17 WO disclosed
WO-2005014665-A1 PROCESS FOR THE PREPARATION OF A METALLOORGANIC COMPOUND COMPRISING AT LEAST ONE IMINE LIGAND DSM IP ASSETS B.V. (NL) 2005-02-17 WO disclosed
WO-2005014669-A1 IMPROVED METHOD OF PREPARING A HYDROCARBYLATED METAL-ORGANIC COMPOUND DSM IP ASSETS B.V. (NL) 2005-02-17 WO disclosed
WO-2005014674-A2 PROCESS FOR THE PREPARATION OF A POLYOLEFIN DSM IP ASSETS B.V. (NL) 2005-02-17 WO disclosed
EP-1506974-A1 Process for the preparation of a metalloorganic compound comprising at least one imine ligand DSM IP Assets B.V. (NL) 2005-02-16 EP 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 (2 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-20170050931-A1 INHIBITORS OF RPN11 POLR2A, RPP30, RPIA METAP2 4438/4885CCR1 3838/4885RAB9A 2455/4885
US-10005735-B2 Inhibitors of RPN11 POLR2A, RPP30, RPIA METAP2 4438/4885CCR1 3838/4885RAB9A 2455/4885

“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.