SCHEMBL5847423

SCHEMBL5847423

Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc([C@@H](CC(C)(C)C)NC(=O)O)cc4)(C4CCCC4)OC3=O)nc2n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 3/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
USP2 O75604 1/20 0.31
PDE10A Q9Y233 3/20 0.31
GAA P10253 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
SCHEMBL4468154 0.90 TSHR (0.37) TSHRALDH1A1NPC1LMNASMN1; SMN2
SCHEMBL4468158 0.90 TSHR (0.37) TSHRALDH1A1NPC1LMNASMN1; SMN2
SCHEMBL3988575 0.86 TSHR (0.38) TSHRALDH1A1NPC1POLBTP53
SCHEMBL13939574 0.86 TSHR (0.38) TSHRALDH1A1NPC1POLBTP53
SCHEMBL12340534 0.86 TSHR (0.48) TSHRALDH1A1NPC1LMNAPOLB
SCHEMBL12340729 0.86 GPR139 (0.34) TSHRALDH1A1NPC1LMNASMN1; SMN2
SCHEMBL5847419 0.85 TSHR (0.35) TSHRALDH1A1NPC1LMNASMN1; SMN2
SCHEMBL4467301 0.85 TSHR (0.38) TSHRALDH1A1NPC1KMT2APOLB
SCHEMBL5847425 0.85 TSHR (0.36) TSHRALDH1A1NPC1KMT2APOLB
SCHEMBL4470883 0.83 TSHR (0.35) TSHRALDH1A1NPC1KMT2APOLB

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.