SCHEMBL9975803

SCHEMBL9975803

CC1CCC(C2=C(c3cc(I)sc3C(=O)O)CCN(Cc3ccccn3)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
TRPV6 Q9H1D0 1/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DRD2 P14416 1/20 0.35
KCNH2 Q12809 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9975801 0.92 DGAT2 (0.40) PTPN2PTPN1L3MBTL1CNR1LMNA
SCHEMBL10381937 0.92 PTPN2 (0.42) PTPN2PTPN1L3MBTL1CNR1LMNA
SCHEMBL9975857 0.89 PTPN2 (0.40) PTPN2PTPN1L3MBTL1CNR1LMNA
SCHEMBL9975687 0.89 PTPN2 (0.40) PTPN2PTPN1L3MBTL1CNR1LMNA
SCHEMBL10383798 0.89 PTPN2 (0.40) PTPN2PTPN1L3MBTL1CNR1LMNA
SCHEMBL9975859 0.86 CNR1 (0.38) PTPN2PTPN1L3MBTL1CNR1LMNA
SCHEMBL9975785 0.84 CHRM5 (0.34) CHRM5CHRM1
SCHEMBL10324290 0.82 CNR1 (0.35) PTPN2PTPN1L3MBTL1CNR1LMNA
SCHEMBL9975904 0.81 DGAT2 (0.39) PTPN2PTPN1L3MBTL1CNR1LMNA
SCHEMBL10324593 0.79 PTPN1 (0.36) PTPN2PTPN1CNR1KDM4EALDH1A1

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 PTPN2 1140/4885PTPN1 775/4885L3MBTL1 3710/4885
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E PTPN2 1729/4885PTPN1 1270/4885L3MBTL1 2919/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 PTPN2 1140/4885PTPN1 775/4885L3MBTL1 3710/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 PTPN2 1140/4885PTPN1 775/4885L3MBTL1 3710/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E PTPN2 1729/4885PTPN1 1270/4885L3MBTL1 2919/4885

“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.