SCHEMBL12051096

SCHEMBL12051096

CCOC(=O)COc1cc(F)ccc1C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 3/20 0.45
NPSR1 Q6W5P4 4/20 0.44
GAA P10253 2/20 0.44
CXCR1 P25024 1/20 0.44
CXCR2 P25025 1/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 1/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.43

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
SCHEMBL2013386 0.85 HPGD (0.56) CASP3CASP7CASP9HPGDNPSR1
SCHEMBL13968771 0.85 GAA (0.49) ABCB1CASP3CASP7CASP9USP2
SCHEMBL4271221 0.85 CYP3A4 (0.61) MAPTALDH1A1CYP3A4TSHRMAOB
SCHEMBL30628273 0.85 CYP3A4 (0.61) MAPTALDH1A1CYP3A4TSHRMAOB
SCHEMBL10545845 0.84 HPGD (0.52) ABCB1CASP3CASP7CASP9USP2
SCHEMBL13603359 0.84 FFAR1 (0.50) ABCB1CASP3CASP7CASP9USP2
SCHEMBL2226744 0.83 PTPN1 (0.52) ABCB1CASP3CASP7CASP9HPGD
SCHEMBL5272109 0.83 PTGDR2 (0.54) ABCB1CASP3CASP7CASP9USP2
SCHEMBL4167809 0.82 ABCB1 (0.64) ABCB1CASP3CASP7CASP9USP2
SCHEMBL18329451 0.82 MAOB (0.43) HPGDNPSR1MAPTALDH1A1MAOB

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-8076365-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-13 US disclosed
US-8076365-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-13 US disclosed
US-20100168098-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-01 US disclosed
US-20100168098-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-01 US disclosed
WO-2007019674-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 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-20100168098-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, POLR2E ABCB1 157/4885CASP3 4015/4885CASP7 3303/4885

“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.