SCHEMBL13627180

SCHEMBL13627180

CCc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)ccc1C(=O)CO

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
POLB P06746 3/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
KMT2A Q03164 1/20 0.31
RECQL P46063 1/20 0.31
PDE10A Q9Y233 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL13627196 0.92 POLB (0.35) TSHRPOLBTP53ALDH1A1NPC1
SCHEMBL13627197 0.92 TSHR (0.35) TSHRPOLBTP53ALDH1A1NPC1
SCHEMBL4475670 0.92 POLB (0.36) TSHRPOLBTP53ALDH1A1NPC1
SCHEMBL4468355 0.91 ALDH1A1 (0.36) TSHRPOLBTP53ALDH1A1KDM4E
SCHEMBL4467311 0.90 TSHR (0.37) TSHRPOLBTP53ALDH1A1KDM4E
SCHEMBL3986688 0.90 TSHR (0.38) TSHRPOLBTP53ALDH1A1KDM4E
SCHEMBL4473221 0.90 TSHR (0.38) TSHRPOLBTP53ALDH1A1KDM4E
SCHEMBL3985455 0.89 TSHR (0.37) TSHRPOLBTP53RXFP1RECQL
SCHEMBL4475640 0.88 TSHR (0.36) TSHRPOLBTP53ALDH1A1KDM4E
SCHEMBL3992168 0.88 TSHR (0.38) TSHRPOLBTP53ALDH1A1NPC1

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-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-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

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-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT TSHR 4713/4885POLB 57/4885TP53 1542/4885

“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.