SCHEMBL3537107

SCHEMBL3537107

COc1oc2ccccc2c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.50
CYP2C19 P33261 4/20 0.50
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
L3MBTL1 Q9Y468 4/20 0.48
ATM Q13315 2/20 0.48
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
USP2 O75604 1/20 0.44
CSNK2A2 P19784 1/20 0.44
PTGS1 P23219 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
EDNRA P25101 1/20 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
SCHEMBL1918728 0.82 KMT2A (0.49) CYP2C9CYP2C19L3MBTL1ATMNPC1
SCHEMBL9537813 0.81 CA12 (0.44) CYP2C9CYP2C19CA12CA9L3MBTL1
SCHEMBL6256304 0.81 GAA (0.50) CYP2C9CYP2C19CA12CA9L3MBTL1
SCHEMBL30569442 0.78 NR1H4 (0.46) L3MBTL1ATMNPC1KDM4EUSP2
SCHEMBL1398779 0.77 CYP2C19 (0.63) CYP2C9CYP2C19L3MBTL1KDM4EUSP2
SCHEMBL454618 0.76 CA12 (0.78) CYP2C9CA12CA9KDM4EABCG2
SCHEMBL15864329 0.75 KDM4E (0.64) CYP2C9CYP2C19CA12CA9L3MBTL1
SCHEMBL10603665 0.74 KDM4E (0.49) CYP2C19CA12CA9L3MBTL1NPC1
SCHEMBL11813859 0.74 KDM4E (0.49) CYP2C9CYP2C19CA12CA9L3MBTL1
SCHEMBL1520307 0.74 KMT2A (0.50) CYP2C19NPC1KDM4EUSP2CSNK2A2

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-7666863-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2010-02-23 US disclosed
US-20090281336-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2009-11-12 US disclosed
US-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2007-10-04 US disclosed
US-7265152-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2007-09-04 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 (2 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-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 CYP2C9 129/4885CYP2C19 117/4885CA12 3749/4885
US-20090281336-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 CYP2C9 129/4885CYP2C19 117/4885CA12 3749/4885

“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.