SCHEMBL21400979

SCHEMBL21400979

NCC(=O)NCCCCCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 7/20 0.65
▸ CA4 P22748 7/20 0.65
▸ CA9 Q16790 7/20 0.65
▸ CA1 P00915 5/20 0.65
▸ CA2 P00918 5/20 0.65
▸ TTR P02766 3/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ TBXA2R P21731 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ PTGS2 P35354 3/20 0.51
▸ PTGS1 P23219 2/20 0.51
▸ AKR1B10 O60218 1/20 0.51
▸ UGT1A9 O60656 1/20 0.51
▸ TRPA1 O75762 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ MT-CO2 P00403 1/20 0.51
▸ ALB P02768 1/20 0.51

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
SCHEMBL21401050 0.96 CA12 (0.65) CA12CA4CA9CA1CA2
SCHEMBL21401044 0.92 CA12 (0.63) CA12CA4CA9CA1CA2
SCHEMBL25719081 0.88 CA12 (0.58) CA12CA4CA9CA1CA2
SCHEMBL25719089 0.84 TTR (0.58) CA12CA4CA9CA1CA2
SCHEMBL22859745 0.83 CA12 (0.53) CA12CA4CA9CA1CA2
SCHEMBL13109332 0.83 TTR (0.65) CA12CA4CA9CA1CA2
SCHEMBL17001514 0.82 TTR (0.71) CA12CA4CA9CA1CA2
SCHEMBL13777334 0.82 TTR (0.67) CA12CA4CA9CA1CA2
SCHEMBL13109322 0.82 TTR (0.67) CA12CA4CA9CA1CA2
SCHEMBL10116869 0.81 TTR (0.70) CA12CA4CA9CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230190943-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2023-06-22 — — US disclosed
EP-3770180-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND Mochida Pharmaceutical Co., Ltd. (JP) 2021-01-27 — — EP disclosed
US-20210000968-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2021-01-07 — — US disclosed
WO-2019182015-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND 持田製薬株式会社 2019-09-26 — — 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-20230190943-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND ALG1, ALG8, ALG3 CA12 907/4885CA4 1710/4885CA9 580/4885
US-20210000968-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND ALG1, ALG8, ALG3 CA12 1032/4885CA4 1770/4885CA9 623/4885

“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.

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