Sugi Predict

Sugi Predict / Compounds / SCHEMBL7073172

SCHEMBL7073172

SCHEMBL7073172

COCCn1c(C(C)c2nc3cc(NC(=N)N)ccc3[nH]2)nc2ccc(C(=O)NCCOc3ccccc3C(=O)O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 4/20 0.39
▸ MAPT P10636 1/20 0.36
▸ ROCK2 O75116 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ F9 P00740 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ F7 P08709 1/20 0.33
▸ PTGER4 P35408 2/20 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
SCHEMBL7075077 0.93 ACSS2 (0.38) ACSS2MAPTPDE4APDE4BPDE4C
SCHEMBL7072722 0.92 MAPT (0.38) ACSS2MAPTHPGDPDE4APDE4B
SCHEMBL7069822 0.92 ACSS2 (0.34) ACSS2MAPTHPGDPDE4APDE4B
SCHEMBL7071802 0.88 TPSAB1 (0.37) ACSS2MAPTHPGDPDE4APDE4B
SCHEMBL7073134 0.86 MAPT (0.38) ACSS2MAPTHPGDHSD17B10NPC1
SCHEMBL7074538 0.86 ACSS2 (0.40) ACSS2HPGDRIPK2F9PTGER4
SCHEMBL7073509 0.86 PDE4A (0.38) ACSS2MAPTHPGDPDE4APDE4B
SCHEMBL7075123 0.86 PDE4A (0.42) MAPTHPGDPDE4APDE4BPDE4C
SCHEMBL7067665 0.86 TPSAB1 (0.36) ACSS2MAPTNPC1F9F11
SCHEMBL7067761 0.85 TPSAB1 (0.35) ACSS2MAPTHPGDPDE4APDE4B

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 ACSS2 609/4885MAPT 2104/4885ROCK2 2573/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 ACSS2 746/4885MAPT 2289/4885ROCK2 3857/4885

“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.