SCHEMBL2850775

SCHEMBL2850775

CCOc1cccc(C(Nc2cc3ccnc(N(OC(C)(C)C)C(=O)OC(C)(C)C)c3cc2F)C(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.33
S1PR3 Q99500 1/20 0.32
F10 P00742 3/20 0.32
F7 P08709 3/20 0.32
F3 P13726 3/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
AURKA O14965 3/20 0.32
RPS6KB1 P23443 3/20 0.32
F2 P00734 2/20 0.31
NR1H4 Q96RI1 1/20 0.31
PTPN1 P18031 1/20 0.31
BCL2 P10415 1/20 0.30
BCL2L1 Q07817 1/20 0.30
MCL1 Q07820 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2850773 0.92 DHODH (0.38) DHODHPTGS2ALDH1A1S1PR3F10
SCHEMBL2854787 0.87 F7 (0.39) F10F7F3PRSS1PRSS2
SCHEMBL5009130 0.85 F7 (0.43) F10F7F3PRSS1PRSS2
SCHEMBL2851286 0.85 F7 (0.35) DHODHPTGS2ALDH1A1S1PR3F10
SCHEMBL4657711 0.80 F7 (0.46) F10F7F3PRSS1PRSS2
SCHEMBL2914505 0.79 F7 (0.42) F10F7F3PRSS1PRSS2
SCHEMBL2853694 0.79 F7 (0.38) ALDH1A1F10F7F3AURKA
SCHEMBL2850814 0.79 F7 (0.42) F10F7F3PRSS1PRSS2
SCHEMBL2854785 0.78 F7 (0.40) F10F7F3PRSS1PRSS2
SCHEMBL2855070 0.78 F7 (0.42) F10F7F3PRSS1PRSS2

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
EP-1910298-B1 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-01-13 EP disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 DHODH 3290/4885PTGS2 1410/4885ALDH1A1 2963/4885

“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.