SCHEMBL6086217

SCHEMBL6086217

CC(C)(C)OC(=O)CN(C=S)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 0.45
▸ CTSL P07711 2/20 0.43
▸ CTSB P07858 2/20 0.43
▸ CTSS P25774 2/20 0.43
▸ RECQL P46063 1/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ RIPK1 Q13546 2/20 0.39
▸ GSTO1 P78417 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38

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
SCHEMBL782348 0.82 AKT1 (0.55) AKT1CTSLCTSBCTSSABCB1
SCHEMBL782349 0.78 AKT1 (0.51) AKT1CTSLCTSBCTSSABCB1
SCHEMBL8018235 0.77 AKT1 (0.50) AKT1CTSLCTSBCTSSABCB1
SCHEMBL7570965 0.77 AKT1 (0.50) AKT1CTSLCTSBCTSSABCB1
SCHEMBL30915258 0.77 AKT1 (0.50) AKT1CTSLCTSBCTSSABCB1
SCHEMBL23130693 0.77 AKT1 (0.50) AKT1CTSLCTSBCTSSABCB1
SCHEMBL7562431 0.75 AKT1 (0.49) AKT1CTSLCTSBCTSSABCB1
SCHEMBL20506830 0.75 AKT1 (0.46) AKT1CTSLCTSBCTSSABCB1
SCHEMBL19567145 0.74 CTSL (0.55) AKT1CTSLCTSBCTSSRECQL
SCHEMBL3844227 0.74 MEN1 (0.52) AKT1CTSLCTSBCTSSMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015223-B1 Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 — — US disclosed
US-6906068-B1 Substituted polycyclic aryl and heteroaryl 1,2,4 - triazinones useful as anticoagulants PHARMACIA CORPORATION (US) 2005-06-14 — — US disclosed
US-20050054643-A1 Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-03-10 — — US disclosed
US-20040116430-A1 Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-17 — — US disclosed
US-6750342-B1 INHIBITORS OF SERINE PROTEASES; ANTICOAGULANT PHARMACIA CORPORATION 2004-06-15 — — US disclosed
US-6653316-B1 Coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2003-11-25 — — US disclosed
EP-1178970-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS Pharmacia Corporation (US) 2002-02-13 — — EP disclosed
WO-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 — — WO disclosed
WO-2000069832-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS PHARMACIA CORPORATION (US) 2000-11-23 — — 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-20050054643-A1 Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade TFPI, PLAT, SERPINC1 AKT1 2144/4885CTSL 125/4885CTSB 170/4885

“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.

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