SCHEMBL7072238

SCHEMBL7072238

CC(c1nc2c(F)c(F)cc(O)c2[nH]1)c1nc2ccc(C(=O)NCCOc3ccccc3C(=O)O)cc2n1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 5/20 0.43
TPSD1 Q9BZJ3 5/20 0.43
TPSG1 Q9NRR2 5/20 0.43
ACSS2 Q9NR19 10/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 1/20 0.34
HPGD P15428 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
SCHEMBL7072294 0.92 TPSAB1 (0.42) TPSAB1TPSD1TPSG1ACSS2RAB9A
SCHEMBL7073148 0.92 TPSAB1 (0.47) TPSAB1TPSD1TPSG1ACSS2SMN1; SMN2
SCHEMBL7071633 0.90 TPSAB1 (0.48) TPSAB1TPSD1TPSG1ACSS2SMN1; SMN2
SCHEMBL7071929 0.89 TPSAB1 (0.44) TPSAB1TPSD1TPSG1ACSS2SMN1; SMN2
SCHEMBL7073399 0.88 TPSAB1 (0.55) TPSAB1TPSD1TPSG1ACSS2SMN1; SMN2
SCHEMBL7075070 0.87 TPSAB1 (0.48) TPSAB1TPSD1TPSG1ACSS2SMN1; SMN2
SCHEMBL7068293 0.86 TPSAB1 (0.55) TPSAB1TPSD1TPSG1ACSS2SMN1; SMN2
SCHEMBL7075022 0.86 TPSAB1 (0.44) TPSAB1TPSD1TPSG1ACSS2SMN1; SMN2
SCHEMBL7069637 0.85 TPSAB1 (0.44) TPSAB1TPSD1TPSG1ACSS2SMN1; SMN2
SCHEMBL7073624 0.84 TPSAB1 (0.46) TPSAB1TPSD1TPSG1ACSS2RAB9A

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.