SCHEMBL5847425

SCHEMBL5847425

Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(C(C)(NC(=O)O)C(C)(C)C)cc4)(C4CCCC4)OC3=O)nc2n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL12340534 0.88 TSHR (0.48) TSHRALDH1A1NPC1POLBTP53
SCHEMBL6790427 0.87 TSHR (0.36) TSHRALDH1A1NPC1POLBRXFP1
SCHEMBL4468154 0.85 TSHR (0.37) TSHRALDH1A1NPC1POLBRXFP1
SCHEMBL4468158 0.85 TSHR (0.37) TSHRALDH1A1NPC1POLBRXFP1
SCHEMBL5847423 0.85 TSHR (0.35) TSHRALDH1A1NPC1POLBRXFP1
SCHEMBL1581447 0.84 TSHR (0.41) TSHRALDH1A1NPC1POLBRXFP1
SCHEMBL3993798 0.84 TSHR (0.39) TSHRALDH1A1NPC1POLBRXFP1
SCHEMBL3987690 0.84 TSHR (0.39) TSHRALDH1A1POLBRXFP1TP53
SCHEMBL4467062 0.84 TSHR (0.38) TSHRALDH1A1NPC1POLBRXFP1
SCHEMBL3988255 0.84 TSHR (0.37) TSHRALDH1A1POLBRXFP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151105-B2 Inhibitors of Hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-19 US disclosed
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2006-06-08 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-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, GTF3C4, POLRMT TSHR 4713/4885ALDH1A1 792/4885NPC1 219/4885

“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.