SCHEMBL6499059

SCHEMBL6499059

CCOC(=O)c1cccc(N2CC[C@H](O)[C@H](OC(C)=O)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
ALOX5 P09917 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.40
PRKCA P17252 1/20 0.40
GSK3B P49841 1/20 0.40
MAPT P10636 4/20 0.40
MAPK1 P28482 1/20 0.40
NOTUM Q6P988 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40

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
SCHEMBL6504848 0.92 ATM (0.51) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL6499620 0.87 ATM (0.54) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL6503786 0.87 ATM (0.54) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL6531619 0.85 ATM (0.47) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL6506787 0.84 ATM (0.51) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL3100227 0.83 ATM (0.55) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL6507440 0.81 ATM (0.57) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL14879672 0.80 ATM (0.56) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL242325 0.78 ATM (0.57) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL6501171 0.77 ATM (0.56) ATMALOX5SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
US-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-27 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 ATM 4449/4885ALOX5 1213/4885SMN1; SMN2 1363/4885
US-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist ITGB3, ITGAV, ITGB1 ATM 4230/4885ALOX5 2232/4885SMN1; SMN2 1068/4885

“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.