SCHEMBL2290221

SCHEMBL2290221

CN(C)C(=O)COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 6/20 0.50
TSHR P16473 1/20 0.50
ALOX5 P09917 1/20 0.47
NPC1 O15118 5/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 4/20 0.46
GRM5 P41594 1/20 0.45
HPGD P15428 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4234185 0.84 NPC1 (0.47) SMN1; SMN2ALDH1A1TSHRALOX5NPC1
SCHEMBL22312249 0.84 KMT2A (0.52) SMN1; SMN2ALDH1A1NPC1GRM5KMT2A
SCHEMBL2233053 0.82 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1TSHRNPC1MAPT
SCHEMBL19249675 0.82 NPC1 (0.48) SMN1; SMN2ALDH1A1TSHRALOX5NPC1
SCHEMBL1276417 0.82 NPC1 (0.48) SMN1; SMN2ALDH1A1TSHRALOX5NPC1
SCHEMBL1957356 0.80 SMN1; SMN2 (0.71) SMN1; SMN2ALOX5NPC1RAB9AMAPK1
SCHEMBL26383132 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1ALOX5NPC1RAB9A
SCHEMBL10381434 0.80 ALDH1A1 (0.56) ALDH1A1TSHRALOX5NPC1MAPT
SCHEMBL23656112 0.79 OPRM1 (0.46) SMN1; SMN2ALDH1A1TSHRALOX5NPC1
SCHEMBL712779 0.79 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1TSHRNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994218-B2 Simple pantoic acid ester neopentyl sulfonyl ester cyclization release prodrugs of acamprosate, compositions thereof, and methods of use XENOPORT, INC. (US) 2011-08-09 US disclosed
US-20090082440-A1 SIMPLE PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-26 US disclosed
EP-0236355-A1 BONE-SEEKING COMPLEXES OF TECHNETIUM-99m AMERSHAM INTERNATIONAL plc (GB) 1987-09-16 EP disclosed
WO-1987001289-A1 BONE-SEEKING COMPLEXES OF TECHNETIUM-99m AMERSHAM INTERNATIONAL PLC (GB) 1987-03-12 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-20090082440-A1 SIMPLE PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 SMN1; SMN2 373/4885ALDH1A1 1362/4885TSHR 1953/4885

“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.