SCHEMBL9975880

SCHEMBL9975880

CC1CCC(C2=C(c3cc(-c4ccccc4)sc3C(=O)O)CCN(C(=O)Cc3ccccc3)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 5/20 0.36
POLB P06746 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TACR3 P29371 1/20 0.34
RAB9A P51151 3/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
HSD11B1 P28845 1/20 0.34
GAA P10253 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL9975671 0.94 FNTA (0.40) NPC1KMT2AALDH1A1DGAT2TSHR
SCHEMBL9975876 0.92 OPRK1 (0.34) NPC1KMT2AALDH1A1TSHRTRPV1
SCHEMBL9975691 0.91 HPGD (0.44) NPC1POLBL3MBTL1SMN1; SMN2RAB9A
SCHEMBL9975700 0.90 NAMPT (0.35) NPC1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9975852 0.88 KMT2A (0.47) KMT2AKDM4E
SCHEMBL10324587 0.88 KMT2A (0.47) KMT2AKDM4E
SCHEMBL9975702 0.88 PTGDR2 (0.38) ALDH1A1KDM4ERAB9A
SCHEMBL9975701 0.88 KDM4E (0.35) ALDH1A1DGAT2KDM4ELMNAHPGD
SCHEMBL9975692 0.87 IKBKB (0.35) ALDH1A1KDM4ELMNAHPGD
SCHEMBL9975838 0.87 PTGDR2 (0.42) NPC1KMT2AALDH1A1SMN1; SMN2RAB9A

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 10 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-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 (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 NPC1 658/4885KMT2A 2421/4885ALDH1A1 577/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E NPC1 658/4885KMT2A 2421/4885ALDH1A1 577/4885

“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.