SCHEMBL6854072

SCHEMBL6854072

CN1CC(CC(=O)O)Oc2ccc(NC(=O)CCCCNc3ncc[nH]3)cc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.39
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
ITGA2B P08514 2/20 0.38
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
PTGIR P43119 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6860087 0.97 RORC (0.39) RORCITGB3ITGAVITGA2BMAPT
SCHEMBL6860571 0.94 RORC (0.40) RORCITGB3ITGAVITGA2BPTGIR
SCHEMBL6860247 0.90 MAPT (0.36) RORCITGB3ITGAVITGA2BMAPT
SCHEMBL6860149 0.89 RORC (0.35) RORCITGB3ITGAVITGA2BMAPT
SCHEMBL6860865 0.89 MAPT (0.35) RORCITGB3ITGAVITGA2BMAPT
SCHEMBL6860175 0.89 SMN1; SMN2 (0.38) RORCITGB3ITGAVITGA2BMAPT
SCHEMBL6860516 0.88 MAPT (0.37) RORCITGB3ITGAVITGA2BMAPT
SCHEMBL6854297 0.87 JAK2 (0.34) RORCITGB3ITGAVITGA2BMAPT
SCHEMBL6853816 0.86 RORC (0.35) RORCITGB3ITGAVITGA2BMAPT
SCHEMBL6860800 0.86 NPC1 (0.39) RORCITGB3ITGAVITGA2BMAPT

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 1719/4885ITGB3 3/4885ITGAV 15/4885

“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.