SCHEMBL5142448

SCHEMBL5142448

CCOc1cc(C(Nc2ccc3c(NCc4ccc(OC)cc4OC)ncnc3c2)C(=O)OCc2ccccc2)ccc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F7 P08709 17/20 0.51
F3 P13726 17/20 0.51
F10 P00742 13/20 0.49
F2 P00734 12/20 0.49
F11 P03951 10/20 0.49
EGFR P00533 1/20 0.44
MAPT P10636 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL6027418 0.91 F7 (0.52) F7F3F10F2F11
SCHEMBL8345604 0.84 CYP1A2 (0.43) F7F3EGFRMAPTALDH1A1
SCHEMBL8348371 0.84 CYP1A2 (0.44) F7F3F10F2EGFR
SCHEMBL6087487 0.74 F7 (0.68) F7F3F10F2F11
SCHEMBL6087723 0.71 F7 (0.53) F7F3F10F2F11
SCHEMBL6089957 0.70 F7 (0.55) F7F3F10F2F11
SCHEMBL6027569 0.69 F7 (0.62) F7F3F10F2F11
SCHEMBL5133183 0.69 F7 (0.62) F7F3F10F2F11
SCHEMBL4866306 0.68 CYP1A2 (0.73) EGFRMAPTALDH1A1LMNACYP1A2
SCHEMBL5003093 0.68 F7 (0.50) F7F3F10F2F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594505-A4 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-08-13 EP disclosed
US-7122559-B2 Phenylglycine derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-17 US disclosed
EP-1594505-A2 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-11-16 EP disclosed
US-20040204412-A1 Phenylglycine derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004072101-A2 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 WO 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-20040204412-A1 Phenylglycine derivatives useful as serine protease inhibitors F7, SERPINE1, HABP2 F7 1/4885F3 62/4885F10 70/4885

“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.