SCHEMBL4330202

SCHEMBL4330202

CCc1cc(OC)c(F)c(C(Nc2ccc3c(N(OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)C(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.35
F7 P08709 13/20 0.34
F3 P13726 13/20 0.34
F10 P00742 8/20 0.33
F2 P00734 7/20 0.33
F11 P03951 4/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 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
SCHEMBL2914276 0.95 F7 (0.37) NR1H4F7F3F10F2
SCHEMBL4330201 0.92 NR1H4 (0.37) NR1H4F7F3F10F2
SCHEMBL2852068 0.88 NR1H4 (0.35) NR1H4F7F3F10F2
SCHEMBL2914274 0.86 F7 (0.38) NR1H4F7F3F10F2
SCHEMBL2916735 0.86 F7 (0.35) NR1H4F7F3F10F2
SCHEMBL2912587 0.86 F7 (0.39) NR1H4F7F3F10F2
SCHEMBL4761375 0.86 NR1H4 (0.37) NR1H4F7F3F10F2
SCHEMBL4332034 0.86 F7 (0.37) NR1H4F7F3F10F2
SCHEMBL2908391 0.85 F7 (0.34) NR1H4F7F3F10F2
SCHEMBL2915397 0.83 F7 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 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-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 NR1H4 3807/4885F7 35/4885F3 20/4885

“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.