SCHEMBL3987142

SCHEMBL3987142

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nc4ccccc4n3C)C(=O)O2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.37
NTRK2 Q16620 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DRD1 P21728 3/20 0.34
DRD5 P21918 3/20 0.34
KMT2A Q03164 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE5A O76074 2/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL3993880 0.94 EP300 (0.35) NTRK1NTRK2ALDH1A1PDE5ATSHR
SCHEMBL3987990 0.93 ALDH1A1 (0.35) ALDH1A1DRD1DRD5PDE5A
SCHEMBL3992022 0.92 ALDH1A1 (0.40) NTRK1NTRK2ALDH1A1MAPTLMNA
SCHEMBL3989094 0.92 MEN1 (0.39) NTRK1NTRK2ALDH1A1KMT2APTGDR2
SCHEMBL3985193 0.87 MAPT (0.37) ALDH1A1MAPTGAALMNAPDE5A
SCHEMBL3994178 0.87 DRD1 (0.33) ALDH1A1GAALMNADRD1DRD5
SCHEMBL3986455 0.86 P2RX3 (0.36) ALDH1A1TSHRPOLB
SCHEMBL3985492 0.85 GNRHR (0.41) ALDH1A1PDE5APOLB
SCHEMBL3993834 0.85 ALDH1A1 (0.35) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL3988977 0.85 KMT2A (0.34) ALDH1A1MAPTGAALMNAKMT2A

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-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 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 (2 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-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 NTRK1 4869/4885NTRK2 4751/4885ALDH1A1 322/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 NTRK1 4869/4885NTRK2 4751/4885ALDH1A1 322/4885

“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.