SCHEMBL5410588

SCHEMBL5410588

CC1(CC(=O)O)OCCc2c1[nH]c1c(F)ccc(F)c21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
S1PR1 P21453 1/20 0.39
AKR1B1 P15121 9/20 0.34
CFTR P13569 4/20 0.33
HRH4 Q9H3N8 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
SCHEMBL5406976 0.92 CYP3A4 (0.41) ALDH1A1TSHRCYP3A4CYP2C9ALOX15
SCHEMBL5393632 0.84 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4CYP2C9ALOX15
SCHEMBL5387150 0.83 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4CYP2C9ALOX15
SCHEMBL5405028 0.82 ALDH1A1 (0.37) ALDH1A1TSHRCYP3A4CYP2C9ALOX15
SCHEMBL5393777 0.82 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4CYP2C9ALOX15
SCHEMBL5386867 0.82 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4CYP2C9ALOX15
SCHEMBL5389937 0.81 AR (0.44) ALDH1A1TSHRCYP3A4CYP2C9ALOX15
SCHEMBL5400065 0.80 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4CYP2C9ALOX15
SCHEMBL5393538 0.80 ALDH1A1 (0.37) ALDH1A1TSHRCYP3A4CYP2C9ALOX15
SCHEMBL5398874 0.80 S1PR1 (0.37) ALDH1A1TSHRCYP3A4CYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2004-04-29 US claimed
US-7217730-B2 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2007-05-15 US disclosed
EP-1509225-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS Wyeth (US) 2005-03-02 EP disclosed
US-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2004-04-29 US disclosed
WO-2003099275-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2003-12-04 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-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus HAVCR2, HCCS, ZC3HAV1 ALDH1A1 495/4885TSHR 384/4885CYP3A4 64/4885

“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.