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SCHEMBL7072015

SCHEMBL7072015

CCC(CC)Oc1ccccc1OCCNC(=O)c1ccc2nc(C(C)c3nc4cc(O)ccc4[nH]3)n(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 3/20 0.39
▸ TPSD1 Q9BZJ3 3/20 0.39
▸ TPSG1 Q9NRR2 3/20 0.39
▸ PDE4A P27815 3/20 0.37
▸ PDE4B Q07343 3/20 0.37
▸ PDE4C Q08493 3/20 0.37
▸ PDE4D Q08499 3/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ACSS2 Q9NR19 6/20 0.36
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL7072012 0.94 TPSAB1 (0.40) TPSAB1TPSD1TPSG1PDE4APDE4B
SCHEMBL7068181 0.94 TPSAB1 (0.41) TPSAB1TPSD1TPSG1PDE4APDE4B
SCHEMBL7070392 0.94 TPSAB1 (0.41) TPSAB1TPSD1TPSG1PDE4APDE4B
SCHEMBL7069834 0.92 PDE4A (0.43) TPSAB1TPSD1TPSG1PDE4APDE4B
SCHEMBL7405580 0.89 TPSAB1 (0.40) TPSAB1TPSD1TPSG1LMNAHPGD
SCHEMBL7075080 0.89 TPSAB1 (0.39) TPSAB1TPSD1TPSG1LMNAHPGD
SCHEMBL7073523 0.89 TPSAB1 (0.39) TPSAB1TPSD1TPSG1LMNAHPGD
SCHEMBL7075729 0.89 HPGD (0.40) TPSAB1TPSD1TPSG1PDE4APDE4B
SCHEMBL7070029 0.88 TPSAB1 (0.38) TPSAB1TPSD1TPSG1LMNAHPGD
SCHEMBL7119344 0.88 TPSAB1 (0.39) TPSAB1TPSD1TPSG1LMNAHPGD

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
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 — — US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 — — US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 — — US disclosed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 — — EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 — — 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 (2 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 TPSAB1 5/4885TPSD1 6/4885TPSG1 3/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 TPSAB1 5/4885TPSD1 3/4885TPSG1 2/4885

“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.