SCHEMBL7072011

SCHEMBL7072011

COC(=O)Cc1cc2ccc(OCCCNC(=O)OC(C)(C)C)cc2[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.50
HSD17B10 Q99714 10/20 0.50
ALDH1A1 P00352 6/20 0.50
TSHR P16473 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
HPGD P15428 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL7075216 0.97 KDM4E (0.49) KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL7073444 0.97 KDM4E (0.51) KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL7071729 0.88 HSD17B10 (0.54) KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL7075764 0.84 HSD17B10 (0.48) KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL27581914 0.83 KDM4E (0.46) KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL27561574 0.83 CA12 (0.47) KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL7071974 0.82 HSD17B10 (0.47) KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL7076632 0.81 HSD17B10 (0.45) KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL7127467 0.81 KDM4E (0.48) KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL7071727 0.81 CA12 (0.45) KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2

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 KDM4E 560/4885HSD17B10 3835/4885ALDH1A1 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.