SCHEMBL13385271

SCHEMBL13385271

CN1C(=O)CCC1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.50
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.46
P2RX7 Q99572 2/20 0.45
ALDH1A1 P00352 1/20 0.45
F2 P00734 1/20 0.45

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
SCHEMBL14299314 1.00 FKBP1A (0.50) FKBP1AHPGDTSHRP2RX7ALDH1A1
SCHEMBL27047902 0.86 HPGD (0.52) FKBP1AHPGDALDH1A1F2
SCHEMBL10761995 0.85 FKBP1A (0.50) FKBP1AHPGDTSHRALDH1A1F2
SCHEMBL28663248 0.83 FKBP1A (0.53) FKBP1AP2RX7
SCHEMBL21869824 0.83 FKBP1A (0.53) FKBP1AP2RX7
SCHEMBL6473564 0.83 FKBP1A (0.50) FKBP1AHPGDTSHRF2
SCHEMBL30882647 0.83 FKBP1A (0.50) FKBP1AHPGDTSHRF2
SCHEMBL21896757 0.83 KMT2A (0.50) FKBP1AHPGDTSHRP2RX7
SCHEMBL10759751 0.82 USP2 (0.47) FKBP1AHPGDALDH1A1
SCHEMBL21869799 0.82 ITGB1 (0.52) FKBP1AP2RX7

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-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 US disclosed
US-20100003216-A1 HCV NS-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2010-01-07 US disclosed
US-7608590-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2009-10-27 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 US disclosed
US-20070161574-A1 Hcv ns-3 serine protease inhibitors MEDIVIR AB (SE) 2007-07-12 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 (3 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-20100003216-A1 HCV NS-3 Serine Protease Inhibitors SPINT2, SF3A3, GTF3C3 FKBP1A 1603/4885HPGD 3055/4885TSHR 4702/4885
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 FKBP1A 1653/4885HPGD 2171/4885TSHR 1326/4885
US-20070161574-A1 Hcv ns-3 serine protease inhibitors PRSS1, HPN, SPINT2 FKBP1A 1401/4885HPGD 2376/4885TSHR 4755/4885

“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.