SCHEMBL14564451

SCHEMBL14564451

COC(=O)c1cnsc1-c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 2/20 0.42
CYP46A1 Q9Y6A2 1/20 0.42
ALPL P05186 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGS2 P35354 1/20 0.41
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2117062 0.86 ALDH1A1 (0.49) ALDH1A1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL14564495 0.82 SMN1; SMN2 (0.46) ALDH1A1RAB9AALPLSMN1; SMN2KMT2A
SCHEMBL14564435 0.76 ALDH1A1 (0.49) ALDH1A1TDP1MAPTRAB9APOLB
SCHEMBL11398295 0.71 TSHR (0.42) ALDH1A1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL31526193 0.69 TSHR (0.41) ALDH1A1MAPTPOLBLMNAHSD17B10
SCHEMBL11700534 0.69 TSHR (0.49) ALDH1A1MAPTPOLBKMT2ALMNA
SCHEMBL5740654 0.69 CYP46A1 (0.64) ALDH1A1TDP1MAPTRAB9APOLB
SCHEMBL14564448 0.69 ALDH1A1 (0.56) ALDH1A1TDP1MAPTRAB9APOLB
SCHEMBL271015 0.69 ALDH1A1 (0.56) ALDH1A1TDP1MAPTRAB9APOLB
SCHEMBL14564446 0.69 KDM4E (0.49) ALDH1A1TDP1MAPTRAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 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-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists NR1H3, NR1H2, RXRA ALDH1A1 1698/4885TDP1 4483/4885MAPT 4429/4885

“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.