SCHEMBL3988181

SCHEMBL3988181

CC(C)n1c(SC2=C(O)CC(CCC3CCCC3)(C3CCCC3)OC2=O)nc2cc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.36
BACE1 P56817 6/20 0.36
CTSD P07339 1/20 0.36
KCNH2 Q12809 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLA2G1B P04054 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
LDHA P00338 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3987662 0.95 BACE1 (0.36) GNRHRBACE1CTSDKCNH2BACE2
SCHEMBL3988617 0.86 MEN1 (0.35) GNRHRBACE1CTSDKCNH2BACE2
SCHEMBL3993083 0.84 GNRHR (0.41) GNRHRMEN1KMT2ASMN1; SMN2PLA2G1B
SCHEMBL3985492 0.84 GNRHR (0.41) GNRHRALDH1A1POLB
SCHEMBL3986864 0.84 GNRHR (0.36) GNRHRALDH1A1POLB
SCHEMBL4293970 0.83 P2RX3 (0.36) GNRHR
SCHEMBL3988548 0.79 GNRHR (0.38) GNRHRBACE1ALDH1A1POLBMEN1
SCHEMBL3989094 0.78 MEN1 (0.39) GNRHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3986455 0.76 P2RX3 (0.36) ALDH1A1POLBPLA2G1BTSHRHSD17B10
SCHEMBL3993880 0.75 EP300 (0.35) GNRHRALDH1A1POLBPLA2G1BTSHR

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 6 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-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
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 (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-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 GNRHR 3443/4885BACE1 2417/4885CTSD 1405/4885

“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.