SCHEMBL4468158

SCHEMBL4468158

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
GPR139 Q6DWJ6 1/20 0.36
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.34
POLB P06746 3/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FKBP1A P62942 1/20 0.33
USP2 O75604 1/20 0.33
PDE10A Q9Y233 2/20 0.32

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 1.00 TSHR (0.37) TSHRGPR139ALDH1A1NPC1LMNA
SCHEMBL12340729 0.91 GPR139 (0.34) TSHRGPR139ALDH1A1NPC1LMNA
SCHEMBL13939574 0.91 TSHR (0.38) TSHRALDH1A1NPC1POLBTP53
SCHEMBL3988575 0.91 TSHR (0.38) TSHRALDH1A1NPC1POLBTP53
SCHEMBL4470883 0.90 TSHR (0.35) TSHRGPR139ALDH1A1NPC1KMT2A
SCHEMBL4467301 0.90 TSHR (0.38) TSHRALDH1A1NPC1KMT2APOLB
SCHEMBL5847423 0.90 TSHR (0.35) TSHRALDH1A1NPC1LMNASMN1; SMN2
SCHEMBL4478368 0.90 TSHR (0.34) TSHRGPR139ALDH1A1NPC1POLB
SCHEMBL12340534 0.89 TSHR (0.48) TSHRALDH1A1NPC1LMNAPOLB
SCHEMBL4472109 0.87 TSHR (0.33) TSHRALDH1A1NPC1POLBUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268835-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2012-09-18 US disclosed
US-7622605-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-11-24 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US disclosed
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 (3 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-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same RNASE1, GTF3C4, POLRMT TSHR 4713/4885GPR139 4465/4885ALDH1A1 792/4885
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, GTF3C4, POLRMT TSHR 4713/4885GPR139 4465/4885ALDH1A1 792/4885
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT TSHR 4713/4885GPR139 4465/4885ALDH1A1 792/4885

“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.