SCHEMBL14497000

SCHEMBL14497000

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.45
▸ PTK2 Q05397 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL14497005 0.91 TRPA1 (0.43) TRPA1PTK2TDP1SYKTSHR
SCHEMBL14496990 0.90 SYK (0.51) TRPA1PTK2TDP1SYKTSHR
SCHEMBL14497038 0.87 TRPA1 (0.44) TRPA1PTK2TDP1SYKTSHR
SCHEMBL14497002 0.86 TRPA1 (0.44) TRPA1PTK2TDP1SYKTSHR
SCHEMBL14496988 0.85 TRPA1 (0.51) TRPA1PTK2TDP1TSHRL3MBTL1
SCHEMBL14496962 0.85 TRPA1 (0.51) TRPA1PTK2TDP1TSHRL3MBTL1
SCHEMBL6421351 0.85 PTK2 (0.46) PTK2TDP1TSHRL3MBTL1MAPK1
SCHEMBL14497008 0.85 TRPA1 (0.42) TRPA1PTK2TDP1SYKTSHR
SCHEMBL14497011 0.85 TRPA1 (0.42) TRPA1PTK2TDP1SYKTSHR
SCHEMBL14496987 0.84 TRPA1 (0.52) TRPA1PTK2TDP1TSHRL3MBTL1

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 1764/4885PTK2 3479/4885TDP1 1949/4885

“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.

Send feedback