SCHEMBL14496987

SCHEMBL14496987

CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.52
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ PTK2 Q05397 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL14496962 0.89 TRPA1 (0.51) TRPA1L3MBTL1MAPK1PTK2TDP1
SCHEMBL14496988 0.89 TRPA1 (0.51) TRPA1L3MBTL1MAPK1PTK2TDP1
SCHEMBL5543004 0.85 TRPA1 (0.47) TRPA1L3MBTL1MAPK1PTK2TDP1
SCHEMBL14497054 0.85 TRPA1 (0.47) TRPA1L3MBTL1MAPK1PTK2TDP1
SCHEMBL14496995 0.85 TRPA1 (0.47) TRPA1L3MBTL1MAPK1PTK2TDP1
SCHEMBL5548531 0.85 L3MBTL1 (0.48) L3MBTL1MAPK1PTK2TDP1NPC1
SCHEMBL14496990 0.84 SYK (0.51) TRPA1L3MBTL1MAPK1PTK2TDP1
SCHEMBL14497000 0.84 TRPA1 (0.45) TRPA1L3MBTL1MAPK1PTK2TDP1
SCHEMBL14496966 0.83 HTT (0.48) TRPA1L3MBTL1MAPK1PTK2NPC1
SCHEMBL14497038 0.83 TRPA1 (0.44) TRPA1L3MBTL1MAPK1PTK2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — 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 (1 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S TRPA1 1764/4885CA1 1918/4885CA2 3666/4885

“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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