SCHEMBL4893400

SCHEMBL4893400

Cc1ccccc1C(=O)CC(=S)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 1/20 0.51
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.48
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
AKR1C3 P42330 1/20 0.47
MGLL Q99685 3/20 0.47
FAAH O00519 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL3543531 0.80 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KMT2AMAPTMGLL
SCHEMBL10013747 0.77 HTT (0.72) SMN1; SMN2PKMALDH1A1MAPTHTT
SCHEMBL4893392 0.77 LMNA (0.62) SMN1; SMN2ALDH1A1KMT2AHTTAKR1C3
SCHEMBL2763863 0.77 BCHE (0.45) SMN1; SMN2ALDH1A1KMT2AMGLLFAAH
SCHEMBL13161999 0.77 ALDH1A1 (0.60) SMN1; SMN2PKMALDH1A1KMT2AMAPT
SCHEMBL28607452 0.75 PKM (0.57) SMN1; SMN2PKMALDH1A1KMT2AMAPT
SCHEMBL12123820 0.74 KMT2A (0.64) ALDH1A1KMT2AMAPTKDM4E
SCHEMBL28291405 0.74 SMN1; SMN2 (0.57) SMN1; SMN2PKMALDH1A1MAPTHTT
SCHEMBL8735550 0.73 ERCC5 (0.74) SMN1; SMN2KMT2AERCC5FEN1NPC1
SCHEMBL18397667 0.70 SMN1; SMN2 (0.52) SMN1; SMN2PKMALDH1A1HTTMGLL

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-20080293721-A1 ARYLTHIOACETAMIDE CARBOXYLATE DERIVATIVES AS FKBP INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISEASES BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-11-27 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-20080293721-A1 ARYLTHIOACETAMIDE CARBOXYLATE DERIVATIVES AS FKBP INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISEASES FKBP3, FKBP2, FKBP1B SMN1; SMN2 228/4885PKM 1269/4885ALDH1A1 1904/4885

“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.