SCHEMBL4792539

SCHEMBL4792539

CC(C)(C)c1ccc([S+]([O-])c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
XBP1 P17861 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
HSD11B1 P28845 2/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
TYR P14679 1/20 0.38
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GCGR P47871 1/20 0.35
GAA P10253 1/20 0.34
KIF11 P52732 1/20 0.33
GPR183 P32249 1/20 0.33

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
SCHEMBL482561 0.89 TSHR (0.48) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL6117135 0.83 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL6117882 0.83 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL776183 0.82 CA1 (0.38) ACHE
SCHEMBL70544 0.82 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL16195602 0.81 TSHR (0.41) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL7938269 0.81 TSHR (0.37) RAB9AHSD11B1TSHRKCNN4
Hydrochloric Acid SCHEMBL31425016 0.81 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL7938378 0.81 PAX8 (0.41) SMN1; SMN2MEN1KMT2ARAB9AHSD11B1
SCHEMBL11581613 0.79 LMNA (0.67) TSHRLMNATYRALDH1A1

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
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-20140286899-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-25 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-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
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 (4 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 SMN1; SMN2 4681/4885MEN1 4815/4885KMT2A 4092/4885
US-20130302282-A1 Inhibitors of Hepatitis C Virus HAVCR2, LIPC, HCCS SMN1; SMN2 4681/4885MEN1 4815/4885KMT2A 4092/4885
US-20140286899-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS SMN1; SMN2 4681/4885MEN1 4815/4885KMT2A 4092/4885
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS SMN1; SMN2 4681/4885MEN1 4815/4885KMT2A 4092/4885

“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.