Sugi Predict

Sugi Predict / Compounds / SCHEMBL7075729

SCHEMBL7075729

SCHEMBL7075729

COCc1ccccc1OCCNC(=O)c1ccc2nc(C(C)c3nc4cc(O)ccc4[nH]3)n(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ TPSAB1 Q15661 3/20 0.39
▸ TPSD1 Q9BZJ3 3/20 0.39
▸ TPSG1 Q9NRR2 3/20 0.39
▸ ACSS2 Q9NR19 5/20 0.39
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ USP1 O94782 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL7068373 0.96 TPSAB1 (0.39) HPGDTPSAB1TPSD1TPSG1ACSS2
SCHEMBL7119344 0.94 TPSAB1 (0.39) HPGDTPSAB1TPSD1TPSG1ACSS2
SCHEMBL7073880 0.94 L3MBTL1 (0.42) HPGDTPSAB1TPSD1TPSG1ACSS2
SCHEMBL7073523 0.93 TPSAB1 (0.39) HPGDTPSAB1TPSD1TPSG1ACSS2
SCHEMBL7075080 0.93 TPSAB1 (0.39) HPGDTPSAB1TPSD1TPSG1ACSS2
SCHEMBL7069834 0.92 PDE4A (0.43) HPGDTPSAB1TPSD1TPSG1POLB
SCHEMBL7070392 0.91 TPSAB1 (0.41) HPGDTPSAB1TPSD1TPSG1ACSS2
SCHEMBL7068181 0.91 TPSAB1 (0.41) HPGDTPSAB1TPSD1TPSG1ACSS2
SCHEMBL7072012 0.90 TPSAB1 (0.40) HPGDTPSAB1TPSD1TPSG1ACSS2
SCHEMBL7072182 0.90 ACSS2 (0.42) HPGDTPSAB1TPSD1TPSG1ACSS2

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 HPGD 1524/4885TPSAB1 5/4885TPSD1 6/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 HPGD 591/4885TPSAB1 5/4885TPSD1 3/4885

“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.