SCHEMBL1421999

SCHEMBL1421999

NCC1CCC(CCC(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
F2 P00734 1/20 0.38
CYP2D6 P10635 2/20 0.35
KDM5A P29375 1/20 0.35
KDM7A Q6ZMT4 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
GABRR1 P24046 6/20 0.34
GABRR2 P28476 2/20 0.34
BLM P54132 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GABRR3 A8MPY1 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
HDAC3 O15379 1/20 0.34
GABBR2 O75899 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL1916141 0.87 LMNA (0.56) LMNAPLGPLATF2CYP2D6
Hydrochloric Acid SCHEMBL15158196 0.85 LMNA (0.54) LMNAPLGPLATF2CYP2D6
Hydrochloric Acid SCHEMBL9231250 0.85 LMNA (0.54) LMNAPLGPLATF2CYP2D6
SCHEMBL14416501 0.80 HPGD (0.44) LMNAKDM5AKDM7AKDM4CPHF8
SCHEMBL4186141 0.80 KDM5A (0.45) LMNAPLGCYP2D6KDM5AKDM7A
SCHEMBL23495089 0.79 LMNA (0.44) LMNAKDM5AKDM7AKDM4CPHF8
SCHEMBL8920891 0.79 KDM5A (0.47) LMNAKDM5AKDM7AKDM4CPHF8
SCHEMBL301024 0.79
SCHEMBL672141 0.79 KDM5A (0.47) LMNAKDM5AKDM7AKDM4CPHF8
SCHEMBL23495097 0.79 ALOX5 (0.39) LMNAPLGPLATKDM5AKDM7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090385-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-11 US disclosed
US-8357721-B2 Therapy for diabetic retinopathy MERCK PATENT GMBH (DE) 2013-01-22 US disclosed
EP-1881960-B1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2011-03-23 EP disclosed
US-20080182906-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GMBH (DE) 2008-07-31 US disclosed
EP-1881960-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2008-01-30 EP disclosed
WO-2006114190-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-11-02 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 (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-20080182906-A1 Novel Specific Caspase-10 Inhibitors CASP10, CASP1, CASP2 LMNA 738/4885PLG 370/4885PLAT 1099/4885
US-20130090385-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS CASP10, CASP1, CASP2 LMNA 738/4885PLG 370/4885PLAT 1099/4885

“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.