SCHEMBL7072292

SCHEMBL7072292

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 4/20 0.42
TPSD1 Q9BZJ3 4/20 0.42
TPSG1 Q9NRR2 4/20 0.42
ACSS2 Q9NR19 7/20 0.38
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
BRD4 O60885 1/20 0.35
TBXAS1 P24557 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 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
SCHEMBL7071934 0.94 TPSAB1 (0.43) TPSAB1TPSD1TPSG1ACSS2SMN1; SMN2
SCHEMBL7070029 0.93 TPSAB1 (0.38) TPSAB1TPSD1TPSG1ACSS2KMT2A
SCHEMBL7072043 0.93 TPSAB1 (0.42) TPSAB1TPSD1TPSG1ACSS2KMT2A
SCHEMBL7071980 0.93 TPSAB1 (0.39) TPSAB1TPSD1TPSG1ACSS2KMT2A
SCHEMBL7072630 0.92 TPSAB1 (0.44) TPSAB1TPSD1TPSG1ACSS2SMN1; SMN2
SCHEMBL7073354 0.91 TPSAB1 (0.43) TPSAB1TPSD1TPSG1ACSS2KMT2A
SCHEMBL7071874 0.90 TPSAB1 (0.53) TPSAB1TPSD1TPSG1ACSS2KMT2A
SCHEMBL7072281 0.90 TPSAB1 (0.43) TPSAB1TPSD1TPSG1ACSS2KMT2A
SCHEMBL7072421 0.90 TPSAB1 (0.46) TPSAB1TPSD1TPSG1ACSS2KMT2A
SCHEMBL7073245 0.89 TPSAB1 (0.46) TPSAB1TPSD1TPSG1ACSS2KMT2A

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 3 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

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.