Sugi Predict

Sugi Predict / Compounds / SCHEMBL7070029

SCHEMBL7070029

SCHEMBL7070029

CCOC(=O)c1ccccc1OCCNC(=O)c1ccc2nc(C(C)c3nc4cc(O)ccc4[nH]3)n(C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 3/20 0.38
▸ TPSD1 Q9BZJ3 3/20 0.38
▸ TPSG1 Q9NRR2 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ATM Q13315 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TBXAS1 P24557 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ACSS2 Q9NR19 6/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ F9 P00740 1/20 0.33

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
SCHEMBL7075013 0.95 TPSAB1 (0.38) TPSAB1TPSD1TPSG1KMT2AATM
SCHEMBL7071897 0.94 TPSAB1 (0.39) TPSAB1TPSD1TPSG1ALDH1A1MAPT
SCHEMBL7075009 0.94 TPSAB1 (0.38) TPSAB1TPSD1TPSG1KMT2AKDM4E
SCHEMBL7068114 0.94 TPSAB1 (0.38) TPSAB1TPSD1TPSG1POLBL3MBTL1
SCHEMBL7072292 0.93 TPSAB1 (0.42) TPSAB1TPSD1TPSG1KMT2AATM
SCHEMBL7071980 0.93 TPSAB1 (0.39) TPSAB1TPSD1TPSG1KMT2AATM
SCHEMBL7072213 0.92 TPSAB1 (0.39) TPSAB1TPSD1TPSG1KMT2AKDM4E
SCHEMBL7405580 0.92 TPSAB1 (0.40) TPSAB1TPSD1TPSG1KMT2AKDM4E
SCHEMBL7070392 0.92 TPSAB1 (0.41) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL7072043 0.90 TPSAB1 (0.42) TPSAB1TPSD1TPSG1KMT2AATM

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.