SCHEMBL9975703

SCHEMBL9975703

CC1CCC(C2=C(c3cc(-c4ccccc4)sc3C(=O)O)CCN(Cc3cccnc3)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
PTPN1 P18031 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
CFTR P13569 1/20 0.39
CYP17A1 P05093 2/20 0.38
CYP3A4 P08684 2/20 0.38
TRPV6 Q9H1D0 2/20 0.37
POLB P06746 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
DHPS P49366 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9975804 0.92 DGAT2 (0.32) KDM4EPTPN1DGAT2CFTRPOLB
SCHEMBL9975717 0.92 ACHE (0.38) KDM4EDGAT2CFTRSIGMAR1ALDH1A1
SCHEMBL9975699 0.91 CHRM5 (0.39) PTPN1DGAT2CFTRTRPV6SIGMAR1
SCHEMBL9975683 0.87 CHRM5 (0.39) KDM4ESIGMAR1ALDH1A1
SCHEMBL10366627 0.87 DRD2 (0.38)
SCHEMBL9976044 0.86 GRM2 (0.36) DGAT2CFTRCYP3A4
SCHEMBL10324332 0.86 GRM2 (0.36) DGAT2CFTRCYP3A4
SCHEMBL9975704 0.86 ACHE (0.41) PTPN1POLBSIGMAR1
SCHEMBL9976046 0.86 MDM2 (0.33) KDM4E
SCHEMBL9975823 0.86 CHRM5 (0.42)

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 19 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-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-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-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-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
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 KDM4E 3082/4885PTPN1 775/4885DGAT2 3590/4885
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E KDM4E 2970/4885PTPN1 1270/4885DGAT2 4399/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 KDM4E 3082/4885PTPN1 775/4885DGAT2 3590/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 KDM4E 3082/4885PTPN1 775/4885DGAT2 3590/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E KDM4E 2970/4885PTPN1 1270/4885DGAT2 4399/4885

“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.