SCHEMBL4052172

SCHEMBL4052172

CC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)OCc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 1/20 0.45
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP1A2 P05177 2/20 0.41
HPGD P15428 3/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.39
PARP10 Q53GL7 1/20 0.39
SYK P43405 3/20 0.39

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
SCHEMBL12217295 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNAPGR
SCHEMBL10361551 0.80 SYK (0.43) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL12193374 0.79 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAPGR
SCHEMBL4056937 0.76 CYP17A1 (0.43) LMNACYP1A2ALDH1A1MAPTCYP3A4
SCHEMBL533732 0.71 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2LMNAPGR
SCHEMBL8864853 0.71 CA12 (0.40) NPC1RAB9ASMN1; SMN2LMNAPGR
SCHEMBL5140898 0.71 CYP1A2 (0.48) NPC1RAB9ASMN1; SMN2LMNACYP1A2
SCHEMBL20509994 0.70 SMN1; SMN2 (0.63) NPC1RAB9ASMN1; SMN2LMNAPGR
SCHEMBL6637951 0.70 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNAPGR
SCHEMBL6834933 0.70 ALDH1A1 (0.46) SMN1; SMN2LMNASLC6A2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009033061-A1 MASKED CARBOXYLATE NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 WO disclosed
US-20090069419-A1 MASKED CARBOXYLATE NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-12 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-20090069419-A1 MASKED CARBOXYLATE NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, AASDHPPT, ACMSD NPC1 198/4885RAB9A 1831/4885SMN1; SMN2 143/4885

“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.