SCHEMBL5424845

SCHEMBL5424845

CC1(CCC(=O)O)OCCc2c1sc1ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
TSHR P16473 3/20 0.34
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
LIMK1 P53667 1/20 0.33
OPRM1 P35372 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
GCGR P47871 1/20 0.32
HPGD P15428 1/20 0.32
KAT2A Q92830 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
SCHEMBL6530065 0.96 CYP1A2 (0.39) CYP1A2TSHRCYP2D6HSD17B10ALDH1A1
SCHEMBL5420858 0.88 TSHR (0.39) CYP1A2TSHRALDH1A1CYP3A4CYP2C9
SCHEMBL11668452 0.81 SSTR3 (0.34) OPRM1OGFRL1SSTR3
SCHEMBL11674036 0.79 LMNA (0.38) CYP2D6ALDH1A1OPRM1OGFRL1SSTR3
SCHEMBL11668351 0.78 GAA (0.42) CYP1A2TSHRHSD17B10ALDH1A1CYP2C9
SCHEMBL5419195 0.76 ALDH1A1 (0.53) CYP1A2TSHRALDH1A1CYP3A4CYP2C9
SCHEMBL5414937 0.75 TSHR (0.38) CYP1A2TSHRALDH1A1CYP3A4CYP2C9
SCHEMBL5427095 0.75 TSHR (0.44) CYP1A2TSHRALDH1A1CYP3A4CYP2C9
SCHEMBL5415334 0.75 ALDH1A1 (0.36) CYP1A2TSHRALDH1A1CYP3A4CYP2C9
SCHEMBL11597100 0.74 OPRM1 (0.47) TSHRALDH1A1CYP3A4CYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276030-A1 Pyranobenzothiophene derivatives to treat infection with hepatitis c virus WYETH (US) 2007-11-29 US claimed
WO-2005016932-A1 PYRANOBENZOTHIOPHENE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2005-02-24 WO claimed
US-20070276030-A1 Pyranobenzothiophene derivatives to treat infection with hepatitis c virus WYETH (US) 2007-11-29 US disclosed
WO-2005016932-A1 PYRANOBENZOTHIOPHENE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2005-02-24 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-20070276030-A1 Pyranobenzothiophene derivatives to treat infection with hepatitis c virus LIPC, HAVCR2, GTF3C2 CYP1A2 73/4885TSHR 1214/4885CYP2D6 537/4885

“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.