SCHEMBL5736865

SCHEMBL5736865

CC(=O)CSc1sccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.34
F13A1 P00488 1/20 0.33
TGM1 P22735 1/20 0.33
HTT P42858 1/20 0.32
SRC P12931 1/20 0.32
CYP2A6 P11509 1/20 0.32
PRNP P04156 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HSD11B1 P28845 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL9528983 0.85 CYP1A2 (0.42) ALDH1A1KMT2AMEN1
SCHEMBL9431644 0.83 KMT2A (0.51) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL2276946 0.80 KMT2A (0.45) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL9690746 0.72
SCHEMBL9431323 0.71 FFAR1 (0.44) ALDH1A1MAPTKMT2AMEN1CYP2A6
SCHEMBL2083549 0.67 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AHTTCYP2A6
SCHEMBL23449026 0.66 LTB4R (0.35) ALDH1A1MAPTKMT2AMEN1SRC
SCHEMBL1121674 0.65 NPC1 (0.53) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL23450058 0.63 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL9474580 0.63 CYP2A6 (0.39) ALDH1A1MAPTKMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399156-B1 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS (AN) 2006-11-22 EP disclosed
US-20040220188-A1 Alkylidene pyrazolidinedione derivatives LABORATOIRES SERONO SA (CH) 2004-11-04 US disclosed
EP-1399156-A2 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY Applied Research Systems ARS Holding N.V. (AN) 2004-03-24 EP disclosed
WO-2002102359-A2 ALKYLIDENE PYRAZOLIDINEDIONE DERIVATIVES AND USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-12-27 WO 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-20040220188-A1 Alkylidene pyrazolidinedione derivatives G6PC1, PPM1D, PTPRS ALDH1A1 721/4885MAPT 4820/4885KMT2A 4359/4885

“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.