SCHEMBL2368385

SCHEMBL2368385

CC(O)CC(N)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
MAPK1 P28482 1/20 0.35
SLC7A5 Q01650 2/20 0.34
CYP2D6 P10635 2/20 0.33
LTA4H P09960 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL569252 0.87 NOS1 (0.39) NOS1NOS3NOS2SLC7A5CYP2D6
SCHEMBL2541315 0.86 SLC7A5 (0.50) NOS1NOS3NOS2MAPK1SLC7A5
SCHEMBL66234 0.86 SLC7A5 (0.50) NOS1NOS3NOS2MAPK1SLC7A5
SCHEMBL66233 0.86 SLC7A5 (0.50) NOS1NOS3NOS2MAPK1SLC7A5
Hydrochloric Acid SCHEMBL20243055 0.85 NOS1 (0.38) NOS1NOS3NOS2SLC7A5CYP2D6
Hydrochloric Acid SCHEMBL953367 0.84 SLC7A5 (0.48) NOS1NOS3NOS2SLC7A5LTA4H
SCHEMBL7555924 0.84 NOS1 (0.39) NOS1NOS3NOS2SLC7A5CYP2D6
Hydrochloric Acid SCHEMBL3937498 0.84 SLC7A5 (0.48) NOS1NOS3NOS2SLC7A5LTA4H
Water SCHEMBL27480998 0.84 SLC7A5 (0.48) NOS1NOS3NOS2SLC7A5LTA4H
Hydrochloric Acid SCHEMBL8319401 0.84 SLC7A5 (0.48) NOS1NOS3NOS2SLC7A5LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539343-B1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNAT GMBH (DE) 2015-12-30 EP disclosed
US-8853193-B2 Thienopyrimidines containing a substituted alkyl group for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
EP-2539343-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
WO-2011104340-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 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-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS CMPK1, DTYMK, NEK2 NOS1 4149/4885NOS3 3925/4885NOS2 3614/4885

“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.