SCHEMBL3676589

SCHEMBL3676589

COC(=O)Nc1ccc(OC(C)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.66
HPGD P15428 2/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 5/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
HSP90AA1 P07900 1/20 0.58
HTT P42858 2/20 0.54
LMNA P02545 2/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
EPHX2 P34913 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL5235403 0.85 SMN1; SMN2 (0.66) SMN1; SMN2HPGDMEN1KMT2AGAA
Diacetamate SCHEMBL863106 0.84 KMT2A (0.81) SMN1; SMN2HPGDMEN1KMT2AGAA
SCHEMBL9609808 0.83 SMN1; SMN2 (0.82) SMN1; SMN2HPGDKMT2AGAAALDH1A1
SCHEMBL12893240 0.83 SMN1; SMN2 (0.59) SMN1; SMN2HPGDMEN1KMT2AGAA
SCHEMBL1162988 0.82 LIPE (0.52) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL11773292 0.82 SMN1; SMN2 (0.85) SMN1; SMN2HPGDGAAALDH1A1MAPT
SCHEMBL2089394 0.82 SMN1; SMN2 (0.73) SMN1; SMN2HPGDMEN1KMT2AGAA
SCHEMBL10780962 0.81 ALDH1A1 (0.81) SMN1; SMN2HPGDMEN1KMT2AGAA
SCHEMBL25046378 0.81 MEN1 (0.58) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL8264218 0.81 ALDH1A1 (0.61) MEN1KMT2AGAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
CN-102427731-B Hepatitis c virus inhibitors ENANTA PHARM INC 2015-05-13 CN disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
CN-102427731-A Hepatitis c virus inhibitors ENANTA PHARM INC 2012-04-25 CN disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 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 (1 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 SMN1; SMN2 4162/4885HPGD 1806/4885MEN1 4782/4885

“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.