SCHEMBL22928013

SCHEMBL22928013

CC(C)(C)NS(=O)(=O)c1cscn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.34
SCN1A P35498 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
NSD2 O96028 2/20 0.33
KAT8 Q9H7Z6 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
PARG Q86W56 1/20 0.33

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
SCHEMBL13843146 0.79 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4ENPC1LMNA
SCHEMBL24549597 0.69 SLC40A1 (0.47) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL24429403 0.69 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1LMNA
SCHEMBL22928035 0.69 UQCRB (0.44) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL14247776 0.68 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL24549598 0.68 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL31726496 0.68 KEAP1 (0.48) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL28023232 0.67
SCHEMBL22928016 0.67 MAPT (0.40) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL22928670 0.67 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1

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-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF MEDICONNS SHANGHAI BIOPHARMACEUTICAL CO LTD (CN) 2021-01-28 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-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF PRLHR, DRD2, AVPR2 ALDH1A1 1570/4885MAPT 1968/4885SMN1; SMN2 4414/4885

“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.