SCHEMBL16786337

SCHEMBL16786337

O=C(O)CC(=O)NC1CCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.56
EPHX1 P07099 6/20 0.52
HPGD P15428 3/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
NCOR2 Q9Y618 1/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL23841258 0.93 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2EPHX1HPGDKMT2A
SCHEMBL307675 0.93 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2EPHX1HPGDKMT2A
SCHEMBL26660436 0.90 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2EPHX1HPGDKMT2A
Hydrochloric Acid SCHEMBL4978162 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2EPHX1HPGDKMT2A
SCHEMBL18536761 0.82 ALDH1A1 (0.88) ALDH1A1SMN1; SMN2EPHX1HPGDKMT2A
SCHEMBL3075216 0.80 EPHX1 (0.68) ALDH1A1SMN1; SMN2EPHX1HPGDKMT2A
SCHEMBL13690845 0.79 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2EPHX1HPGDKMT2A
SCHEMBL2416229 0.79 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2EPHX1HPGDKMT2A
SCHEMBL14963068 0.79 SMN1; SMN2 (0.77) ALDH1A1SMN1; SMN2EPHX1HPGDEPHX2
SCHEMBL2096794 0.78

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
WO-2023107863-A1 HETEROCYCLIC COMPOUNDS AS KIT KINASE INHIBITORS DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 WO disclosed
US-9896473-B2 Thiol compounds and the use thereof for the synthesis of modified oligonucleotides ETABLISSEMENT FRANCAIS DU SANG (FR) 2018-02-20 US disclosed
US-20150158964-A1 THIOL COMPOUNDS AND THE USE THEREOF FOR THE SYNTHESIS OF MODIFIED OLIGONUCLEOTIDES UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2015-06-11 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-20150158964-A1 THIOL COMPOUNDS AND THE USE THEREOF FOR THE SYNTHESIS OF MODIFIED OLIGONUCLEOTIDES TST, APEX1, TMT1A ALDH1A1 329/4885SMN1; SMN2 4558/4885EPHX1 3142/4885

“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.