SCHEMBL2836508

SCHEMBL2836508

CCOC(=O)c1ccc(NC(=O)COc2cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3cc2NCS(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CASP3 P42574 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
ABL1 P00519 3/20 0.38
RIN1 Q13671 3/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.37
CEPT1 Q9Y6K0 2/20 0.37
TP53 P04637 2/20 0.37

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
SCHEMBL2836512 0.86 CACNA1C (0.45)
SCHEMBL2838862 0.86 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2839771 0.85 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19CYP2C8KCNH2
SCHEMBL2834892 0.85 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2841399 0.83 CYP3A4 (0.42) MAPTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL2840736 0.83 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2843291 0.83 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2838992 0.83 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2839489 0.82 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2836169 0.82 NPC1 (0.42) CYP3A4CYP2C9CYP2C19KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4537315-B2 2010-09-01 JP claimed
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 claimed
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 claimed
EP-1581207-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2007-07-25 EP claimed
JP-2006510736-A 2006-03-30 JP claimed
EP-1581207-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-10-05 EP claimed
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED 2004-08-19 US claimed
WO-2004041201-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-05-21 WO claimed

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 MAPT 3261/4885CYP3A4 38/4885CYP1A2 39/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 MAPT 3261/4885CYP3A4 38/4885CYP1A2 39/4885

“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.