SCHEMBL2402149

SCHEMBL2402149

CCc1c(Br)ccc2oc(-c3ccc(F)cc3)c(C(=O)O)c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 13/20 0.44
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DHODH Q02127 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PRNP P04156 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35

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
SCHEMBL14324620 0.79 ANO1 (0.39) ANO1KDM4EALDH1A1HPGDMAPK1
SCHEMBL20241100 0.74 GAA (0.55) KDM4EALDH1A1HPGDMAPK1RECQL
SCHEMBL1918655 0.73 ANO1 (0.44) ANO1KDM4EALDH1A1HPGDMAPK1
SCHEMBL19198140 0.71 KCNH2 (0.46) KCNH2
SCHEMBL1936360 0.70 ANO1 (0.43) ANO1KDM4EALDH1A1HPGDMEN1
SCHEMBL18809255 0.69 MEN1 (0.56) ANO1KDM4EALDH1A1HPGDMAPK1
SCHEMBL28302265 0.69 KCNH2 (0.46) KCNH2NPC1MAPTHTTRAB9A
SCHEMBL22890720 0.69 DHODH (0.36) ALDH1A1HSD17B10DHODHPRNP
SCHEMBL8364028 0.69 DHODH (0.48) DHODHKMT2A
SCHEMBL14710224 0.69 ANO1 (0.56) ANO1KDM4EALDH1A1HPGDMAPK1

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 3 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
WO-2011106992-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 ANO1 4360/4885KDM4E 3818/4885ALDH1A1 1276/4885

“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.