SCHEMBL29338790

SCHEMBL29338790

C/N=C(\C(=O)Cc1ccccc1)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
RAB9A P51151 5/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 5/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
EPHX2 P34913 1/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
AKR1B1 P15121 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL29336973 0.87 CES2 (0.52) CES2CES1FNTAFNTBRAB9A
Methyl Phenylpyruvate SCHEMBL237446 0.82 CES2 (0.64) CES2CES1FNTAFNTBRAB9A
Methyl Phenylpyruvate SCHEMBL27849227 0.80 CES2 (0.61) CES2CES1FNTAFNTBRAB9A
Methyl Phenylpyruvate SCHEMBL7622542 0.77 CES2 (0.57) CES2CES1FNTAFNTBRAB9A
SCHEMBL7634176 0.74 CES2 (0.52) CES2CES1FNTAFNTBRAB9A
SCHEMBL10197486 0.72 LMNA (0.58) CES2CES1ALDH1A1SMN1; SMN2MAPT
SCHEMBL10732366 0.72 HTT (0.48) CES2CES1FNTAFNTBALDH1A1
SCHEMBL1666500 0.72 CES2 (0.48) CES2CES1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8616006 0.72 CES2 (0.48) CES2CES1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28118587 0.72 CES2 (0.48) CES2CES1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 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-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 CES2 869/4885CES1 1891/4885FNTA 1006/4885

“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.