SCHEMBL6860658

SCHEMBL6860658

O=C(O)CC1CN(CC2CCCCC2)c2cc(NC(=O)CCNc3ncc[nH]3)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.34
LDLR P01130 4/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGAV P06756 2/20 0.33
ITGA2B P08514 1/20 0.33
EPHX2 P34913 1/20 0.32
VCP P55072 1/20 0.32

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
SCHEMBL6860075 0.96 RORC (0.36) RORCITGB3ITGAVITGA2B
SCHEMBL6860119 0.95 RORC (0.34) RORCLDLRKDM4EALDH1A1ITGB3
SCHEMBL6854297 0.95 JAK2 (0.34) RORCLDLRKDM4EALDH1A1ITGB3
SCHEMBL6853816 0.92 RORC (0.35) RORCALDH1A1ITGB3ITGAVITGA2B
SCHEMBL6860149 0.91 RORC (0.35) RORCALDH1A1ITGB3ITGAVITGA2B
SCHEMBL6860138 0.87 TP53 (0.39) RORCALDH1A1ITGB3ITGAV
SCHEMBL6860571 0.86 RORC (0.40) RORCITGB3ITGAVITGA2B
SCHEMBL6860473 0.86 GAA (0.38) RORCLDLRKDM4EITGB3ITGAV
SCHEMBL6853671 0.83 RORC (0.36) RORCALDH1A1ITGB3ITGAVITGA2B
SCHEMBL6860800 0.82 NPC1 (0.39) RORCALDH1A1ITGB3ITGAVITGA2B

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-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US claimed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 US claimed
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 RORC 1719/4885LDLR 559/4885KDM4E 1891/4885

“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.