SCHEMBL5774574

SCHEMBL5774574

CCOC(=O)c1cnoc1-c1ccc(SC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 3/20 0.41
SLC26A6 Q9BXS9 1/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 5/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HPGD P15428 2/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL5773388 0.86 TARBP2 (0.48) ALDH1A1MAPK1TDP1TSHRMAPT
SCHEMBL343836 0.84 HTT (0.50) ALDH1A1MAPK1TSHRMAPTMEN1
SCHEMBL11384351 0.84 ALDH1A1 (0.48) ALDH1A1MAPK1TSHRMAPTMEN1
SCHEMBL10668171 0.84 SMN1; SMN2 (0.52) ALDH1A1MAPK1POLBMAPTLMNA
SCHEMBL5771735 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1POLBTSHRMAPT
SCHEMBL6502372 0.83 TSHR (0.53) ALDH1A1MAPK1TDP1POLBTSHR
SCHEMBL5776864 0.83 GAA (0.51) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL21172100 0.81 CYP11B1 (0.44) ALDH1A1MAPK1POLBTSHRMAPT
SCHEMBL5772913 0.81 MAPT (0.49) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL5774677 0.80 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1

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
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR ALDH1A1 1045/4885MAPK1 1148/4885TDP1 4652/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ALDH1A1 682/4885MAPK1 485/4885TDP1 4108/4885

“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.