SCHEMBL4792308

SCHEMBL4792308

COc1ccc(Br)c(NS(C)(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
POLB P06746 1/20 0.49
PTGS1 P23219 4/20 0.46
PTGS2 P35354 3/20 0.46
LMNA P02545 4/20 0.45
GAA P10253 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
PTK2 Q05397 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
PIK3CG P48736 3/20 0.42
ALDH1A1 P00352 2/20 0.41
PTK2B Q14289 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL6811951 0.79 ADRB3 (0.59)
SCHEMBL2061500 0.79 ALDH1A1 (0.46) MAPK1PTGS1PTGS2LMNAGAA
SCHEMBL29853577 0.79 KEAP1 (0.66) GAAPGR
SCHEMBL26768276 0.79 KEAP1 (0.66) GAAPGR
SCHEMBL23533880 0.77 GAA (0.46) MAPK1POLBLMNAGAAALDH1A1
SCHEMBL2760304 0.77 FFAR4 (0.56) MAPK1PTGS1PTGS2LMNAGAA
SCHEMBL30293256 0.77 FFAR4 (0.56) MAPK1PTGS1PTGS2LMNAGAA
SCHEMBL30505761 0.77 ALDH1A1 (0.53) MAPK1PTGS1PTGS2LMNAGAA
SCHEMBL1290875 0.77 KEAP1 (0.43) POLBPTGS1PTGS2LMNAGAA
SCHEMBL30764888 0.77 KEAP1 (0.43) POLBPTGS1PTGS2LMNAGAA

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-2632261-B1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-20130302282-A1 Inhibitors of Hepatitis C Virus PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-14 US disclosed
US-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 US disclosed
WO-2012058125-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-03 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 (3 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-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS MAPK1 2737/4885POLB 411/4885PTGS1 2529/4885
US-20130302282-A1 Inhibitors of Hepatitis C Virus HAVCR2, LIPC, HCCS MAPK1 2737/4885POLB 411/4885PTGS1 2529/4885
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS MAPK1 2737/4885POLB 411/4885PTGS1 2529/4885

“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.