SCHEMBL5880859

SCHEMBL5880859

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nnnn3CCN(C)C)C(=O)O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 13/20 0.40
UBE2M P61081 10/20 0.40
ALDH1A1 P00352 3/20 0.34
KDM1A O60341 2/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
GFER P55789 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
SCHEMBL5880811 0.90 L3MBTL1 (0.38) ALDH1A1LMNANPC1TAAR1TSHR
SCHEMBL5880958 0.84 DCUN1D1 (0.33) DCUN1D1UBE2MALDH1A1KDM1A
SCHEMBL5880809 0.83 TSHR (0.35) ALDH1A1TSHRMAPTHPGDGFER
SCHEMBL3993895 0.79 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL7147749 0.76 ALDH1A1 (0.40) ALDH1A1LMNANPC1MAPTHPGD
SCHEMBL5880793 0.76 NPC1 (0.32) ALDH1A1LMNANPC1
SCHEMBL5880786 0.74 CYP3A4 (0.37) ALDH1A1NPC1TSHRMAPTHPGD
SCHEMBL3987969 0.73 OPRD1 (0.32) LMNANPC1TSHR
SCHEMBL7102081 0.73 POLB (0.32) ALDH1A1LMNAMAPT
SCHEMBL5880752 0.73 KMT2A (0.41) ALDH1A1KDM1ANPC1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US 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 (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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 DCUN1D1 688/4885UBE2M 3346/4885ALDH1A1 729/4885

“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.