SCHEMBL3618274

SCHEMBL3618274

COc1ccc(CN2CCOC[C@H](NC(=O)O)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FKBP1A P62942 2/20 0.46
▸ TSHR P16473 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ EPAS1 Q99814 1/20 0.45
▸ MMP1 P03956 2/20 0.44
▸ MMP13 P45452 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3618418 1.00 MAPK1 (0.47) MAPK1SMN1; SMN2FKBP1ATSHRHIF1A
SCHEMBL13547191 0.86 SMN1; SMN2 (0.50) MAPK1SMN1; SMN2FKBP1ATSHRHIF1A
SCHEMBL13547190 0.86 SMN1; SMN2 (0.50) MAPK1SMN1; SMN2FKBP1ATSHRHIF1A
SCHEMBL14218347 0.86 SMN1; SMN2 (0.48) MAPK1SMN1; SMN2TSHRSIGMAR1MEN1
SCHEMBL14218316 0.86 SMN1; SMN2 (0.48) MAPK1SMN1; SMN2TSHRSIGMAR1MEN1
SCHEMBL5640916 0.82 SRC (0.58) —
SCHEMBL3610793 0.79 SMN1; SMN2 (0.52) MAPK1SMN1; SMN2FKBP1ATSHRHIF1A
SCHEMBL3611571 0.79 SMN1; SMN2 (0.52) MAPK1SMN1; SMN2FKBP1ATSHRHIF1A
SCHEMBL16466966 0.73 GAA (0.49) MAPK1SMN1; SMN2MMP1MMP13SIGMAR1
SCHEMBL14172059 0.73 HDAC1 (0.43) MAPK1TSHRKDM4EGAAPOLB

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-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 — — US disclosed
EP-2069347-A2 NOVEL INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-06-17 — — EP disclosed
WO-2008039420-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-04-03 — — WO 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-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, SI, MGAM2 MAPK1 3643/4885SMN1; SMN2 3397/4885FKBP1A 2407/4885

“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.

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