SCHEMBL3988977

SCHEMBL3988977

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nncn3C)C(=O)O2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
CBLB Q13191 1/20 0.34
RECQL P46063 1/20 0.32
PDE5A O76074 3/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
OPRD1 P41143 1/20 0.31
LDHA P00338 1/20 0.31
POLB P06746 2/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 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
SCHEMBL3987688 0.91 PDE5A (0.34) ALDH1A1PDE5AOPRD1LDHAHSD17B10
SCHEMBL3991161 0.91 PDE5A (0.31) ALDH1A1PDE5AOPRD1LDHAHSD17B10
SCHEMBL3987000 0.91 PDE5A (0.32) CBLBPDE5AOPRD1
SCHEMBL3994458 0.90 ALDH1A1 (0.38) KMT2AALDH1A1MAPTTP53OPRD1
SCHEMBL3985193 0.88 MAPT (0.37) ALDH1A1MAPTPDE5ALMNATP53
SCHEMBL3994178 0.88 DRD1 (0.33) KMT2AALDH1A1PDE5ALMNATP53
SCHEMBL3990626 0.88 ALDH1A1 (0.36) ALDH1A1PDE5ALMNATP53LDHA
SCHEMBL3987990 0.86 ALDH1A1 (0.35) ALDH1A1PDE5A
SCHEMBL3988334 0.85 NPC1 (0.34) ALDH1A1PDE5AOPRD1POLBGAA
SCHEMBL3993895 0.85 ALDH1A1 (0.39) KMT2AALDH1A1PDE5AOPRD1HSD17B10

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 8 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
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP 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
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 WO 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 KMT2A 2024/4885ALDH1A1 322/4885MAPT 3475/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 KMT2A 2024/4885ALDH1A1 322/4885MAPT 3475/4885

“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.