SCHEMBL3224055

SCHEMBL3224055

CN(C)C(=O)[C@@H](OC(=O)NC(C)(C)C)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALOX5 P09917 1/20 0.38
ADAM17 P78536 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3224060 1.00 LMNA (0.39) LMNAALOX5ADAM17MEN1KMT2A
SCHEMBL4732600 0.79 ALOX5 (0.49) LMNAALOX5ADAM17MEN1KMT2A
SCHEMBL3217995 0.74 TXNRD1 (0.39) LMNAMEN1KMT2A
SCHEMBL3223411 0.73 NPSR1 (0.43) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3223416 0.73 NPSR1 (0.43) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3224065 0.72 CTSK (0.43) ALOX5ADAM17SMN1; SMN2KDM4EALOX15
SCHEMBL27767606 0.71 LMNA (0.47) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL14469909 0.69 ADAM17 (0.45) LMNAALOX5ADAM17KDM4EALDH1A1
SCHEMBL13447237 0.69 ALOX5 (0.44) LMNAALOX5ADAM17KDM4EALOX15
SCHEMBL14401971 0.69 ADAM17 (0.45) LMNAALOX5ADAM17KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303547-A1 HCV Protease Inhibitors and Uses Thereof ABBVIE INC (US) 2013-11-14 US disclosed
US-8497275-B2 HCV protease inhibitors and uses thereof ABBVIE INC. (US) 2013-07-30 US disclosed
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-02-04 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 (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-20130303547-A1 HCV Protease Inhibitors and Uses Thereof SERPINB1, PEPD, PREP LMNA 2562/4885ALOX5 2615/4885ADAM17 49/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP LMNA 2562/4885ALOX5 2615/4885ADAM17 49/4885

“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.