Sugi Predict

Sugi Predict / Compounds / SCHEMBL7073141

SCHEMBL7073141

SCHEMBL7073141

COC(=O)c1ccccc1OCCNC(=O)c1ccc2nc(C(C)c3nc4c([nH]3)CCN(C(=O)OCc3ccccc3)C4)n(C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 3/20 0.34
▸ ENPP2 Q13822 2/20 0.34
▸ ATXN2 Q99700 2/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ TPSAB1 Q15661 3/20 0.33
▸ TPSD1 Q9BZJ3 3/20 0.33
▸ TPSG1 Q9NRR2 3/20 0.33
▸ TMEM97 Q5BJF2 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ DHFR P00374 1/20 0.33
▸ GABRA5 P31644 1/20 0.32
▸ ACSS2 Q9NR19 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL7071905 0.85 TPSAB1 (0.33) NPC1RAB9ATPSAB1TPSD1TPSG1
SCHEMBL7068659 0.85 NPC1 (0.36) NPC1RAB9ATPSAB1TPSD1TPSG1
SCHEMBL7068661 0.84 NPC1 (0.33) NPC1RAB9ATPSAB1TPSD1TPSG1
SCHEMBL7068662 0.84 NPC1 (0.33) NPC1RAB9ATPSAB1TPSD1TPSG1
SCHEMBL7071924 0.84 NPC1 (0.34) NPC1RAB9ATPSAB1TPSD1TPSG1
SCHEMBL7068430 0.84 NPC1 (0.35) NPC1RAB9ATPSAB1TPSD1TPSG1
SCHEMBL7071928 0.84 NPC1 (0.34) NPC1RAB9ATPSAB1TPSD1TPSG1
SCHEMBL7067767 0.84 NR1H4 (0.42) ENPP2ATXN2KDRHDAC1HDAC10
SCHEMBL7071800 0.80 ACSS2 (0.32) NPC1RAB9AHDAC1HDAC6TPSAB1
SCHEMBL7068673 0.80 ACSS2 (0.38) NPC1RAB9AACSS2

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 MAP3K5 3503/4885ENPP2 67/4885ATXN2 373/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 MAP3K5 3333/4885ENPP2 707/4885ATXN2 2036/4885

“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.