SCHEMBL6784534

SCHEMBL6784534

N=C(N)c1cccc(NC(C(=O)NCC(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc2OCC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
CCR1 P32246 1/20 0.38
F10 P00742 8/20 0.37
PRSS1 P07477 6/20 0.33
F2 P00734 3/20 0.33
F7 P08709 2/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
PARP10 Q53GL7 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL28749645 0.88 ACE2 (0.41) GCGRACE2CCR1F10PRSS1
SCHEMBL6784570 0.82 F10 (0.49) F10PRSS1F2TPSAB1PARP10
SCHEMBL6774635 0.81 RAB9A (0.48) F10PRSS1F2TPSAB1TPSD1
SCHEMBL6779349 0.81 TSHR (0.48) F2MEN1KMT2ADRD2DRD4
SCHEMBL6779912 0.78 ITGB3 (0.41) F10PRSS1F2TPSAB1TPSD1
SCHEMBL6773996 0.74 F10 (0.40) F10PRSS1F2F7MEN1
SCHEMBL5918556 0.73 F10 (0.49) F10PRSS1F2F7MEN1
SCHEMBL6779499 0.72 SLC28A3 (0.35) F10
SCHEMBL5918512 0.72 F10 (0.57) F10PRSS1KMT2A
SCHEMBL5918562 0.72 F10 (0.53) F10PRSS1F2F7MEN1

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-6794507-B2 Compounds that inhibit factor Xa activity MORPHOCHEM AG (DE) 2004-09-21 US disclosed
US-20030153510-A1 Novel compounds inhibiting factor xa activity CAPPI MICHAEL W (DE) 2003-08-14 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-20030153510-A1 Novel compounds inhibiting factor xa activity SERPINC1, F11, TFPI GCGR 1210/4885ACE2 392/4885CCR1 3018/4885

“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.