SCHEMBL9975852

SCHEMBL9975852

CC1CCC(C2=C(c3cc(-c4ccccc4)sc3C(=O)O)CCN(C(=O)Cc3cccc4ccccc34)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CYP2C9 P11712 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAPK1 P28482 1/20 0.36
HTR2C P28335 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 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
SCHEMBL10324587 1.00 KMT2A (0.47) KMT2AMEN1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL9975880 0.88 NPC1 (0.39) KMT2AKDM4E
SCHEMBL9975876 0.87 OPRK1 (0.34) KMT2AMEN1
SCHEMBL9975700 0.87 NAMPT (0.35) KMT2AMEN1KDM4EPTGDR2
SCHEMBL9975671 0.85 FNTA (0.40) KMT2ACHRM5CHRM1
SCHEMBL9975702 0.84 PTGDR2 (0.38) KDM4EPTGDR2CHRM5CHRM1
SCHEMBL9975701 0.84 KDM4E (0.35) KDM4E
SCHEMBL9975691 0.84 HPGD (0.44) PTGDR2
SCHEMBL9975692 0.83 IKBKB (0.35) KDM4ECYP2C9
SCHEMBL9975679 0.82 ACHE (0.42) KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E KMT2A 2421/4885MEN1 4122/4885KDM4E 2970/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E KMT2A 2421/4885MEN1 4122/4885KDM4E 2970/4885

“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.