SCHEMBL6477480

SCHEMBL6477480

COC(=O)Cc1ccc(C)cc1S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
GLA P06280 2/20 0.40
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SRC P12931 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
EGFR P00533 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 1/20 0.38

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
SCHEMBL9911235 0.84 HSP90AB1 (0.44) HSP90AB1ALDH1A1HPGDKDM4EGLA
SCHEMBL8147867 0.83 ALDH1A1 (0.53) HSP90AB1ALDH1A1HPGDKDM4EGLA
SCHEMBL10015983 0.82 NPC1 (0.45) HSP90AB1ALDH1A1HPGDKDM4EGLA
SCHEMBL1476379 0.81 HSP90AB1 (0.42) HSP90AB1ALDH1A1HPGDKDM4EGLA
SCHEMBL4597631 0.80 SRC (0.59) ALDH1A1KDM4EMAPTSRCGAA
SCHEMBL9610136 0.79 ALDH1A1 (0.42) HSP90AB1ALDH1A1HPGDKDM4EGLA
SCHEMBL14400443 0.79 CYP4F2 (0.42) HSP90AB1ALDH1A1HPGDKDM4EGLA
SCHEMBL16397084 0.79 ALDH1A1 (0.49) HSP90AB1ALDH1A1HPGDKDM4EGLA
SCHEMBL13949103 0.79 P2RX7 (0.45) HSP90AB1ALDH1A1HPGDKDM4EGLA
SCHEMBL9129321 0.79 ABL1 (0.47) HSP90AB1ALDH1A1HPGDKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936632-B2 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2005-08-30 US disclosed
US-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2004-06-24 US 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-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof PTGS1, PTGS2, PTGER1 HSP90AB1 1681/4885ALDH1A1 302/4885HPGD 14/4885

“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.