SCHEMBL3301323

SCHEMBL3301323

C=CCn1c(C(=O)OCC)cc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 6/20 0.64
NOD1 Q9Y239 6/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 4/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
LMNA P02545 1/20 0.57
F10 P00742 2/20 0.57
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL3259707 0.85 NOD2 (0.71) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL28669136 0.83 NOD2 (0.70) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL16487399 0.83 CCR2 (0.48) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL16201674 0.81 MEN1 (0.74) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL25955240 0.81 NOD2 (0.67) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL6752352 0.81 KDM4E (0.71) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL18202169 0.81 MEN1 (0.74) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL7425465 0.81 MEN1 (0.79) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL708036 0.80 CCR2 (0.63) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL18322286 0.80 KDM4E (0.73) NOD2NOD1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086982-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
EP-2086982-A1 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-08-12 EP disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC NOD2 1470/4885NOD1 1125/4885MEN1 4761/4885
US-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC NOD2 1470/4885NOD1 1125/4885MEN1 4761/4885

“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.