SCHEMBL5453142

SCHEMBL5453142

COc1cc(C(=O)C(C)C)ccc1OC(N)=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 2/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
BACE1 P56817 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL758674 0.87 TSHR (0.66) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL25139437 0.78 HIF1A (0.53) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL9559777 0.78 TSHR (0.61) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL10601731 0.77 TSHR (0.66) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL10764969 0.77 TSHR (0.66) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL10335852 0.77 TSHR (0.66) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL9036333 0.76 TSHR (0.63) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL19935014 0.76 TSHR (0.50) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL25139440 0.75 TSHR (0.49) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL9050320 0.74 TSHR (0.61) TSHRCYP2C9CYP2C19CYP1A2CYP3A4

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
EP-1690538-A1 ISOXAZOLE DERIVATIVE HAVING AGONISTIC ACTIVITY AGAINST PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR SHIONOGI & CO., LTD. (JP) 2006-08-16 EP 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 TSHR 176/4885CYP2C9 230/4885CYP2C19 178/4885

“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.