SCHEMBL4893392

SCHEMBL4893392

Cc1ccc(C(=O)CC(=S)N2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
ALDH1A1 P00352 2/20 0.60
MGLL Q99685 2/20 0.60
FAAH O00519 1/20 0.60
KMT2A Q03164 6/20 0.54
MEN1 O00255 3/20 0.54
RAB9A P51151 3/20 0.53
CYP2D6 P10635 1/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 2/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
FKBP1A P62942 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49

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 0.85 SMN1; SMN2 (0.63) ALDH1A1MGLLFAAHKMT2AMEN1
SCHEMBL9792249 0.77 KMT2A (0.70) LMNAALDH1A1MGLLFAAHKMT2A
SCHEMBL4893400 0.77 SMN1; SMN2 (0.52) ALDH1A1MGLLFAAHKMT2ARAB9A
SCHEMBL19357081 0.77 LMNA (1.00) LMNAALDH1A1MGLLFAAHKMT2A
SCHEMBL12871 0.76 PHGDH (0.69) LMNAALDH1A1KMT2ARAB9AHPGD
SCHEMBL4397261 0.75 ALDH1A1 (1.00) LMNAALDH1A1MGLLFAAHKMT2A
SCHEMBL12947818 0.75 KMT2A (0.69) LMNAALDH1A1KMT2AMEN1RAB9A
SCHEMBL28612094 0.73 LMNA (0.71) LMNAALDH1A1KMT2AMEN1RAB9A
SCHEMBL12123790 0.73 ALDH1A1 (0.73) LMNAALDH1A1KMT2AMEN1HTT
SCHEMBL12301999 0.72 CYP3A4 (0.60) LMNAALDH1A1KMT2AMEN1RAB9A

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 LMNA 4536/4885ALDH1A1 1904/4885MGLL 4824/4885

“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.