SCHEMBL6860701

SCHEMBL6860701

Nc1ccc2c(c1)N(Cc1ccccc1)CC(CC(=O)O)O2

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 16/20 0.51
SIRT2 Q8IXJ6 12/20 0.42
BRD4 O60885 2/20 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
SCHEMBL7705262 0.88 TSHR (0.47) SIRT1SIRT2BRD4
SCHEMBL18144508 0.83 MTNR1A (0.52) SIRT1BRD4
SCHEMBL16843718 0.83 MTNR1A (0.52) SIRT1BRD4
SCHEMBL18168933 0.82 SIRT1 (0.46) SIRT1SIRT2BRD4
SCHEMBL18168894 0.82 SIRT1 (0.46) SIRT1SIRT2BRD4
SCHEMBL18168893 0.82 SIRT1 (0.46) SIRT1SIRT2BRD4
SCHEMBL6853881 0.82 SIRT1 (0.53) SIRT1SIRT2
SCHEMBL18143289 0.82 SIRT1 (0.47) SIRT1SIRT2
SCHEMBL19813079 0.82 SIRT1 (0.47) SIRT1SIRT2
SCHEMBL18143291 0.82 SIRT1 (0.47) SIRT1SIRT2

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-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 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-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists ITGB1, ITGA1, ITGB3 SIRT1 639/4885SIRT2 865/4885BRD4 1278/4885

“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.