SCHEMBL12937232

SCHEMBL12937232

CC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.58
L3MBTL1 Q9Y468 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.50
TTR P02766 1/20 0.50
PPOX P50336 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC6A4 P31645 7/20 0.49
HTR2A P28223 6/20 0.49
KCNH2 Q12809 6/20 0.49
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.48
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL11095176 0.92 FFAR1 (0.65) FFAR1L3MBTL1RAB9AMEN1TTR
SCHEMBL11435437 0.90 CYP2C19 (0.51) FFAR1RAB9AMAPTNPC1ALDH1A1
SCHEMBL15384989 0.87 HTR2A (0.59) FFAR1L3MBTL1RAB9AMEN1TTR
SCHEMBL11238861 0.87 L3MBTL1 (0.68) FFAR1L3MBTL1RAB9AMEN1TTR
SCHEMBL10969104 0.87 FFAR1 (0.60) FFAR1L3MBTL1RAB9AMEN1TTR
SCHEMBL13506726 0.86 FFAR1 (0.56) FFAR1L3MBTL1RAB9AMEN1TTR
SCHEMBL12938203 0.84 SLC6A4 (0.44) FFAR1RAB9ASLC6A4HTR2AKCNH2
SCHEMBL9582439 0.84 FFAR1 (0.58) FFAR1L3MBTL1RAB9AMEN1TTR
SCHEMBL22904762 0.84 CYP2C19 (0.47) FFAR1RAB9ASLC6A4HTR2AKCNH2
SCHEMBL8684464 0.84 FFAR1 (0.61) FFAR1L3MBTL1RAB9AMEN1TTR

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 8 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

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 FFAR1 3549/4885L3MBTL1 3638/4885RAB9A 2113/4885
US-20130302282-A1 Inhibitors of Hepatitis C Virus HAVCR2, LIPC, HCCS FFAR1 3549/4885L3MBTL1 3638/4885RAB9A 2113/4885
US-20140286899-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS FFAR1 3549/4885L3MBTL1 3638/4885RAB9A 2113/4885
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS FFAR1 3549/4885L3MBTL1 3638/4885RAB9A 2113/4885

“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.