SCHEMBL6540729

SCHEMBL6540729

CN(C)C(=S)Oc1ccc(CC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
PTGS1 P23219 2/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
RAB9A P51151 1/20 0.44
CA2 P00918 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
SRD5A2 P31213 2/20 0.44
KLK1 P06870 2/20 0.43
PRSS1 P07477 2/20 0.43
TMPRSS2 O15393 1/20 0.43
LTB4R Q15722 4/20 0.43
LTB4R2 Q9NPC1 4/20 0.43
AKR1B1 P15121 1/20 0.42
NR3C1 P04150 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ABCC4 O15439 1/20 0.42

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
SCHEMBL377282 0.84 LIPE (0.51) RAB9AALDH1A1HPGDHSD17B10LMNA
SCHEMBL12020270 0.78 LTA4H (0.52) LMNAHTT
SCHEMBL4762790 0.77 CYP2C9 (0.39) PTGS1AKR1C3AKR1C2RAB9ACA2
SCHEMBL384743 0.77 GAA (0.57) KDM4EPOLBPTGS1AKR1C3AKR1C2
SCHEMBL6553235 0.77 LMNA (0.55) KDM4EPOLBRAB9AALDH1A1HSD17B10
SCHEMBL9733951 0.76 KMT2A (0.51) RAB9AALDH1A1HPGDHSD17B10LMNA
SCHEMBL23751423 0.76 SRD5A2 (0.58) KDM4EPOLBPTGS1AKR1C3AKR1C2
SCHEMBL10896825 0.76 CA2 (0.49) KDM4EPOLBPTGS1AKR1C3AKR1C2
SCHEMBL10894946 0.76 GAA (0.46) KDM4EPOLBPTGS1AKR1C3AKR1C2
SCHEMBL6137045 0.76 HSD17B10 (0.39) KDM4EPOLBPTGS1AKR1C3AKR1C2

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 KDM4E 2107/4885POLB 1231/4885PTGS1 1178/4885

“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.