SCHEMBL10076918

SCHEMBL10076918

CCC(C)C(=O)[C@H](NC(C)=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
MTNR1A P48039 7/20 0.43
MTNR1B P49286 7/20 0.43
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
GLS O94925 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL11928731 0.84 CYP2D6 (0.49) MEN1KMT2ALMNAPOLBAPAF1
SCHEMBL8918662 0.84 CYP2D6 (0.49) MEN1KMT2ALMNAPOLBAPAF1
SCHEMBL18931319 0.84 CYP2D6 (0.49) MEN1KMT2ALMNAPOLBAPAF1
SCHEMBL13179385 0.83 MEN1 (0.44) MEN1KMT2ALMNAPOLBAPAF1
SCHEMBL12175115 0.83 CASR (0.44) MEN1KMT2ALMNAPOLB
SCHEMBL888690 0.83 MEN1 (0.44) MEN1KMT2ASMN1; SMN2POLBMTNR1A
SCHEMBL9911544 0.83 MEN1 (0.44) MEN1KMT2ASMN1; SMN2POLBMTNR1A
SCHEMBL13545121 0.78 MTNR1A (0.46) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL4250144 0.77 SRC (0.52) KMT2ALMNAPOLBMTNR1AMTNR1B
SCHEMBL890060 0.77 TACR3 (0.48) KMT2APOLBMTNR1AMTNR1BALDH1A1

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-8178531-B2 Antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110218175-A1 ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2011-09-08 US disclosed
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS 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 (6 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 MEN1 4782/4885KMT2A 2957/4885SMN1; SMN2 4162/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 MEN1 4868/4885KMT2A 1865/4885SMN1; SMN2 3741/4885
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 MEN1 4817/4885KMT2A 2992/4885SMN1; SMN2 4269/4885
US-20110218175-A1 ANTIVIRAL AGENTS EIF2AK2, HAVCR2, MAVS MEN1 4810/4885KMT2A 4664/4885SMN1; SMN2 4530/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 MEN1 4782/4885KMT2A 2957/4885SMN1; SMN2 4162/4885
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 MEN1 4817/4885KMT2A 2992/4885SMN1; SMN2 4269/4885

“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.