SCHEMBL5880931

SCHEMBL5880931

CC(=O)Nc1cc(C(C)(C)C)c(SS(=O)(=O)c2ccc(C)cc2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 3/20 0.42
PKM P14618 2/20 0.41
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 1/20 0.39
DNMT1 P26358 1/20 0.39
BACE1 P56817 1/20 0.38
IDO1 P14902 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7638882 0.86 DNMT1 (0.36) LMNASMN1; SMN2POLBCYP3A4CYP2C19
SCHEMBL8008611 0.80 DNMT1 (0.45) LMNATSHRSMN1; SMN2KMT2ACYP3A4
SCHEMBL6369974 0.79 DNMT1 (0.38) LMNATSHRPOLBKMT2ACYP2C19
SCHEMBL5881054 0.79 ALDH1A1 (0.47) LMNASMN1; SMN2POLBKMT2ACYP2C19
SCHEMBL8702569 0.78 DNMT1 (0.46) KMT2ADNMT1ALDH1A1
SCHEMBL5880909 0.78 DNMT1 (0.41) LMNASMN1; SMN2KMT2ADNMT1MAPK1
SCHEMBL5880835 0.77 DNMT1 (0.45) LMNAKMT2ADNMT1ALDH1A1TDP1
SCHEMBL5880896 0.77 DNMT1 (0.42) LMNAKMT2ADNMT1ALDH1A1
SCHEMBL6303226 0.76 DYRK1A (0.52) SMN1; SMN2POLBKMT2ACYP3A4CYP2C19
Hydrochloric Acid SCHEMBL5880769 0.76 DNMT1 (0.44) LMNAKMT2ADNMT1ALDH1A1TDP1

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 LMNA 3489/4885TSHR 4398/4885SMN1; SMN2 3990/4885

“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.