SCHEMBL7075893

SCHEMBL7075893

COC(=O)CC1Cc2ccc(O)cc2N(Cc2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
XIAP P98170 5/20 0.44
NR1H2 P55055 1/20 0.41
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 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
SCHEMBL7071357 0.89 XIAP (0.55) TSHRSMN1; SMN2ALDH1A1XIAPMEN1
SCHEMBL7076120 0.84 XIAP (0.48) TSHRSMN1; SMN2ALDH1A1XIAPMEN1
SCHEMBL7073325 0.83 XIAP (0.49) TSHRSMN1; SMN2ALDH1A1XIAP
SCHEMBL7076546 0.83 XIAP (0.50) TSHRXIAP
SCHEMBL7071262 0.80 XIAP (0.45) TSHRSMN1; SMN2ALDH1A1XIAP
SCHEMBL7073306 0.79 XIAP (0.44) TSHRALDH1A1XIAP
SCHEMBL7073213 0.79 XIAP (0.45) TSHRXIAP
SCHEMBL7076563 0.79 XIAP (0.46) TSHRXIAP
SCHEMBL7075435 0.79 XIAP (0.45) TSHRXIAP
SCHEMBL7075553 0.78 XIAP (0.46) TSHRXIAP

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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US disclosed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin ITGAV, ITGB2, ITGB3 TSHR 587/4885SMN1; SMN2 4493/4885ALDH1A1 1467/4885

“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.