SCHEMBL4617827

SCHEMBL4617827

CCc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 2/20 0.53
HTR2A P28223 3/20 0.51
KCNH2 Q12809 2/20 0.51
HTR2C P28335 2/20 0.51
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
HSD11B1 P28845 1/20 0.47
METAP2 P50579 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
UCHL1 P09936 1/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL27713276 0.94 SMN1; SMN2 (0.51) CA2SMN1; SMN2LMNAHTR2AKCNH2
SCHEMBL678812 0.89 CA2 (0.67) CA2LMNAL3MBTL1POLBUCHL1
SCHEMBL4615671 0.84 CA2 (0.58) CA2SMN1; SMN2LMNAHTR2AKCNH2
SCHEMBL2121770 0.82 HSD11B1 (0.55) CA2LMNAHTR2AKCNH2HTR2C
SCHEMBL79787 0.82 HSD11B1 (0.55) CA2LMNAHTR2AKCNH2HTR2C
SCHEMBL4328574 0.82 HSD11B1 (0.55) CA2LMNAHTR2AKCNH2HTR2C
SCHEMBL30072318 0.82 HSD11B1 (0.55) CA2LMNAHTR2AKCNH2HTR2C
SCHEMBL131869 0.82
SCHEMBL13925528 0.82
SCHEMBL4615611 0.81 HTR6 (0.61) CA2SMN1; SMN2LMNAHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130302282-A1 Inhibitors of Hepatitis C Virus PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-14 US disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 US disclosed
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 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-20130302282-A1 Inhibitors of Hepatitis C Virus HAVCR2, LIPC, HCCS CA2 4648/4885SMN1; SMN2 4681/4885LMNA 2548/4885
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 CA2 2749/4885SMN1; SMN2 2404/4885LMNA 4608/4885
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS CA2 4648/4885SMN1; SMN2 4681/4885LMNA 2548/4885

“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.