SCHEMBL9975705

SCHEMBL9975705

COC(=O)c1sc(-c2ccc(NC(=O)OC(C)(C)C)cc2)cc1C1=C(C2CCC(C)CC2)CN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.38
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
LIPE Q05469 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
PRKDC P78527 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
MAPT P10636 4/20 0.33
TP53 P04637 3/20 0.33
PSMB8 P28062 1/20 0.33
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
NAMPT P43490 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL9975842 0.91 DRD2 (0.39) CHRM1DRD2BRD4CREBBPLIPE
SCHEMBL10364872 0.90 DRD2 (0.35) CHRM1DRD2BRD4CREBBPLIPE
SCHEMBL9975697 0.85 MAPT (0.39) KDM4EHTTATMMAPTTP53
SCHEMBL9975909 0.85 SLC6A3 (0.37) KDM4EHTTATMMAPTTP53
SCHEMBL10364962 0.85 KDM4E (0.45) CHRM1KDM4EHTTATMMAPT
SCHEMBL9975760 0.85 CHRM3 (0.41) CHRM1DRD2BRD4CREBBPKDM4E
SCHEMBL10325384 0.82 NAMPT (0.35) KDM4EHTTATMPTPN1MAPT
SCHEMBL10364389 0.82 NAMPT (0.39) CHRM1PRKDCNAMPT
SCHEMBL16869985 0.82 MAPT (0.37) KDM4EHTTATMMAPTTP53
SCHEMBL10366678 0.81 IKBKB (0.40) KDM4EHTTATMMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10426762-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL PHARMA, INC. (US) 2019-10-01 US disclosed
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 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 (5 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-10426762-B2 Inhibitors of hepatitis C virus polymerase POLR2E, POLR2H, GTF3C3 CHRM1 3102/4885DRD2 4381/4885BRD4 1871/4885
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E CHRM1 1499/4885DRD2 4192/4885BRD4 1925/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 CHRM1 3102/4885DRD2 4381/4885BRD4 1871/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 CHRM1 3102/4885DRD2 4381/4885BRD4 1871/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E CHRM1 1499/4885DRD2 4192/4885BRD4 1925/4885

“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.