SCHEMBL8916533

SCHEMBL8916533

CCC(=O)C(c1cccc(C(F)(F)F)c1)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
PNMT P11086 1/20 0.47
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ACP3 P15309 2/20 0.43
TP53 P04637 1/20 0.43
KLRK1 P26718 2/20 0.43
MICA Q29983 2/20 0.43
RAET1L Q5VY80 2/20 0.43
GAA P10253 1/20 0.42
TACR1 P25103 2/20 0.42
TAS1R3 Q7RTX0 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
SCHEMBL10150954 0.84 CES2 (0.50) CES2PNMTALDH1A1POLBMEN1
SCHEMBL756263 0.84 CES2 (0.50) CES2PNMTALDH1A1POLBMEN1
Hydrochloric Acid SCHEMBL6027743 0.82 CES2 (0.49) CES2PNMTALDH1A1POLBMEN1
SCHEMBL13183621 0.82 MEN1 (0.45) CES2PNMTALDH1A1POLBMEN1
SCHEMBL8912591 0.81 CES2 (0.48) CES2PNMTALDH1A1SLC6A2SLC6A4
SCHEMBL8907151 0.81 CES2 (0.48) CES2PNMTALDH1A1POLBMEN1
SCHEMBL8918676 0.81 MEN1 (0.45) CES2MEN1KMT2ASLC6A2SLC6A4
SCHEMBL8241600 0.79 CES2 (0.49) CES2PNMTALDH1A1POLBMEN1
SCHEMBL14176566 0.79 CES2 (0.49) CES2PNMTALDH1A1POLBMEN1
SCHEMBL19578318 0.79 TAS1R3 (0.45) CES2PNMTALDH1A1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
WO-2013052362-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-11 WO disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
WO-2011127350-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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 (2 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-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CES2 175/4885PNMT 3430/4885ALDH1A1 229/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CES2 380/4885PNMT 3175/4885ALDH1A1 287/4885

“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.