Sugi Predict

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SCHEMBL2402264

SCHEMBL2402264

COC(=O)C(C(=O)c1ccc(F)cc1)c1cc(Br)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ HTT P42858 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ KLF5 Q13887 1/20 0.37
▸ KCNMA1 Q12791 2/20 0.36
▸ CXCL12 P48061 1/20 0.36

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
SCHEMBL2405923 0.80 FOLH1 (0.42) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL2402387 0.79 APLNR (0.35) MAPTKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL23218878 0.76 HPGD (0.40) MAPTKDM4EKMT2ARAB9AHTT
SCHEMBL23218548 0.75 HPGD (0.40) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL8321938 0.73 HPGD (0.47) MAPTKDM4EKMT2ARAB9AHTT
SCHEMBL17274555 0.70 HPGD (0.44) MAPTKDM4EKMT2AHTTMEN1
SCHEMBL974872 0.70 RAB9A (0.44) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL27843891 0.68 ADRB2 (0.45) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL19925501 0.67 PSEN1 (0.41) MAPTKMT2AMEN1L3MBTL1GAA
SCHEMBL16344945 0.67 APLNR (0.39) MAPTKDM4ENPC1RAB9ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542545-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE Merck Sharp & Dohme Corp. (US) 2013-01-09 — — EP disclosed
US-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. 2012-12-27 — — US disclosed
US-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. 2012-12-27 — — US disclosed
WO-2011106992-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 — — WO disclosed
WO-2011106992-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 — — WO disclosed
WO-2011106986-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 — — WO disclosed
WO-2011106929-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 — — WO disclosed
WO-2011106929-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 — — WO disclosed
WO-2011106986-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 — — 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-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE HCCS, EIF2AK2, RNGTT MAPT 4226/4885KDM4E 3818/4885KMT2A 3920/4885

“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.