SCHEMBL13627197

SCHEMBL13627197

Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(C(=O)CO)c(Cl)c4)(C4CCCC4)OC3=O)nc2n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
POLB P06746 4/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 5/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3992537 0.93 POLB (0.38) TSHRPOLBRXFP1TP53MAPT
SCHEMBL4467062 0.93 TSHR (0.38) TSHRPOLBRXFP1TP53ALDH1A1
SCHEMBL13627196 0.92 POLB (0.35) TSHRPOLBRXFP1TP53ALDH1A1
SCHEMBL13627180 0.92 TSHR (0.35) TSHRPOLBRXFP1TP53ALDH1A1
SCHEMBL4472727 0.91 KMT2A (0.36) TSHRPOLBRXFP1TP53ALDH1A1
SCHEMBL3987690 0.91 TSHR (0.39) TSHRPOLBRXFP1TP53ALDH1A1
SCHEMBL3993117 0.90 TSHR (0.38) TSHRPOLBRXFP1TP53MAPT
SCHEMBL13939487 0.89 POLB (0.39) TSHRPOLBRXFP1TP53MAPT
SCHEMBL3989651 0.87 TSHR (0.36) TSHRPOLBRXFP1TP53ALDH1A1
SCHEMBL13939479 0.87 KMT2A (0.39) TSHRPOLBRXFP1TP53ALDH1A1

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 57/4885RXFP1 4468/4885

“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.