SCHEMBL14635896

SCHEMBL14635896

C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.55
ACE2 Q9BYF1 3/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
GFER P55789 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
SCHEMBL14636980 1.00 PREP (0.55) PREPACE2NPC1RAB9ASMN1; SMN2
SCHEMBL12612788 1.00 PREP (0.55) PREPACE2NPC1RAB9ASMN1; SMN2
SCHEMBL14636978 1.00 PREP (0.55) PREPACE2NPC1RAB9ASMN1; SMN2
SCHEMBL14635897 1.00 PREP (0.55) PREPACE2NPC1RAB9ASMN1; SMN2
SCHEMBL21192894 0.90 CYP2C19 (0.55) PREPACE2SMN1; SMN2NPSR1TSHR
SCHEMBL15913916 0.89 PREP (0.54) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL30738863 0.89 PREP (0.54) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL14637220 0.89 PREP (0.54) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL14636911 0.89 PREP (0.54) PREPACE2NPSR1TSHRL3MBTL1
SCHEMBL4158485 0.88 TSHR (0.53) PREPACE2SMN1; SMN2NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734529-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 EP disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 US disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 US disclosed
EP-2734529-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-05-28 EP disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 WO disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 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 (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-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 PREP 3849/4885ACE2 3535/4885NPC1 3286/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 PREP 3782/4885ACE2 3489/4885NPC1 3341/4885

“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.