SCHEMBL8917906

SCHEMBL8917906

CCC(=O)C[C@@H](Cc1ccccc1F)NC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
RIPK1 Q13546 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL890178 0.86 CTSS (0.42) CTSSCTSKKMT2AL3MBTL1ALDH1A1
SCHEMBL18526772 0.86 CTSS (0.45) CTSSCTSKKMT2AL3MBTL1ALDH1A1
SCHEMBL755370 0.86 CTSS (0.45) CTSSCTSKKMT2AL3MBTL1ALDH1A1
SCHEMBL888773 0.85 CTSS (0.41) CTSSCTSKKMT2AL3MBTL1ALDH1A1
SCHEMBL10140548 0.84 ALDH1A1 (0.38) CTSSCTSKKMT2AALDH1A1CYP3A4
SCHEMBL13154162 0.84 CTSS (0.39) CTSSCTSKKMT2AL3MBTL1ALDH1A1
SCHEMBL8908068 0.83 CTSS (0.45) CTSSCTSKKMT2AL3MBTL1ALDH1A1
SCHEMBL10140545 0.81 CTRB1 (0.49) CYP3A4POLB
SCHEMBL12980506 0.81 CTRB1 (0.49) CYP3A4POLB
SCHEMBL13255630 0.81 CTRB1 (0.49) CYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US 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 (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-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CTSS 571/4885CTSK 933/4885KMT2A 2957/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CTSS 2582/4885CTSK 2105/4885KMT2A 2844/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CTSS 2638/4885CTSK 2467/4885KMT2A 2014/4885

“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.