SCHEMBL3987544

SCHEMBL3987544

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Cc3ccc(S(C)(=O)=O)cc3)C(=O)O2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.39
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
PTGS1 P23219 1/20 0.36
MAPT P10636 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
APOBEC3A P31941 1/20 0.34
HTT P42858 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 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
SCHEMBL3987706 0.90 EDNRA (0.36) KMT2AALDH1A1GAAEDNRBEDNRA
SCHEMBL3985186 0.86 PDE1A (0.34) KMT2AALDH1A1GAALMNA
SCHEMBL3988700 0.84 OPRD1 (0.36) KMT2AALDH1A1MAPTGAALMNA
SCHEMBL3988630 0.83 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL3987826 0.83 PDE5A (0.33) KMT2AGAA
SCHEMBL3985430 0.82 PDE1A (0.34) KMT2AGAALMNA
SCHEMBL3988500 0.81 MAPK1 (0.34) KMT2AALDH1A1MAPK1MAPTHCRTR1
SCHEMBL3989000 0.79 OPRD1 (0.38) KMT2AALDH1A1HCRTR1HCRTR2
SCHEMBL3984855 0.79 NPC1 (0.41) KMT2AALDH1A1MAPK1MAPTLMNA
SCHEMBL13939479 0.79 KMT2A (0.39) KMT2AALDH1A1MAPK1MAPTGAA

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 PTGS2 2084/4885KMT2A 2024/4885ALDH1A1 322/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 PTGS2 2084/4885KMT2A 2024/4885ALDH1A1 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.