SCHEMBL10157461

SCHEMBL10157461

CC(C)c1csc(-c2nc(O)c3c(n2)CCCC3)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.36
FABP5 Q01469 3/20 0.36
TYK2 P29597 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
IDH1 O75874 2/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL2624131 0.78 TYK2 (0.38) FABP4FABP5TYK2NPSR1NOS3
SCHEMBL2624120 0.76 TYK2 (0.35) FABP4FABP5TYK2CYP2C9
SCHEMBL2117929 0.74 TYK2 (0.35) FABP4FABP5TYK2IDH1CYP2C9
SCHEMBL2624096 0.72 TNKS (0.47) TYK2MEN1TSHRKMT2ACYP2C9
SCHEMBL20609522 0.69 NPSR1 (0.41) NPSR1NOS3NOS1NOS2MEN1
SCHEMBL2861979 0.68 CCR4 (0.41) MEN1TSHRKMT2ACYP2C9
SCHEMBL2116011 0.66 IDH1 (0.33) TYK2IDH1
SCHEMBL6075839 0.66 KDM4E (0.44) CYP2C9
SCHEMBL27013361 0.65 LMNA (0.56) TSHR
SCHEMBL6077104 0.64 ACHE (0.38) NOS3NOS1NOS2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US 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 (1 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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 FABP4 4134/4885FABP5 4216/4885TYK2 3824/4885

“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.