SCHEMBL3988293

SCHEMBL3988293

COc1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.39
CRHBP P24387 3/20 0.39
CRHR2 Q13324 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.33
PDE5A O76074 1/20 0.33
CYP3A4 P08684 1/20 0.33
EPHX1 P07099 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 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
SCHEMBL3988462 0.90 POLB (0.35) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL3992239 0.89 FFAR4 (0.36) SMN1; SMN2LMNATP53
SCHEMBL3985509 0.89 MEN1 (0.36) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL3987785 0.89 MEN1 (0.34) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL3987522 0.89 LMNA (0.38) ALDH1A1MEN1KMT2AHTTPDE5A
SCHEMBL3993801 0.88 SMN1; SMN2 (0.37) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL3986790 0.85 KMT2A (0.34) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL13939590 0.85 KMT2A (0.34) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL3992533 0.84 CYP1A2 (0.40) SMN1; SMN2ALDH1A1KMT2AHPGDTSHR
SCHEMBL13963704 0.82 RAB9A (0.33) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD

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 11 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-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 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
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 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 (3 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 SMN1; SMN2 3990/4885CRHBP 2870/4885CRHR2 4763/4885
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 SMN1; SMN2 3095/4885CRHBP 2833/4885CRHR2 2828/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 SMN1; SMN2 3095/4885CRHBP 2833/4885CRHR2 2828/4885

“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.