SCHEMBL6401384

SCHEMBL6401384

O=C(O)[C@@H]1CCCC[C@H]1S(=O)(=O)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.52
MMP1 P03956 3/20 0.43
MMP13 P45452 3/20 0.43
MMP7 P09237 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSK P43235 1/20 0.42
FKBP1A P62942 3/20 0.41
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41
MMP9 P14780 2/20 0.41
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP1 P29466 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL6276800 0.92 MMP13 (0.49) TAAR1MMP1MMP13MMP8MMP12
SCHEMBL6266747 0.86 MMP8 (0.54) TAAR1MMP1MMP13MMP7MMP8
SCHEMBL6268870 0.86 MMP8 (0.54) TAAR1MMP1MMP13MMP7MMP8
SCHEMBL8318611 0.86 MMP8 (0.54) TAAR1MMP1MMP13MMP7MMP8
SCHEMBL6268860 0.86 MMP8 (0.54) TAAR1MMP1MMP13MMP7MMP8
SCHEMBL6266744 0.86 MMP8 (0.54) TAAR1MMP1MMP13MMP7MMP8
SCHEMBL6271220 0.79 MMP13 (0.57) TAAR1MMP1MMP13MMP7MMP8
SCHEMBL6802716 0.79 MMP13 (0.57) TAAR1MMP1MMP13MMP7MMP8
SCHEMBL27539860 0.79 MMP13 (0.49) TAAR1MMP1MMP13MMP7MMP8
SCHEMBL6731740 0.75 RAB9A (0.41) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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
EP-1596846-A2 INHIBITORS OF HEPATITIS C VIRUS, COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20040229817-A1 Inhibitors of Hepatitis C virus, compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-11-18 US disclosed
WO-2004073599-A2 INHIBITORS OF HEPATITIS C VIRUS, 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-20040229817-A1 Inhibitors of Hepatitis C virus, compositions and treatments using the same TIMP3, MMP2, MMP7 TAAR1 4567/4885MMP1 10/4885MMP13 6/4885

“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.