SCHEMBL21531706

SCHEMBL21531706

CC(C)C(C)(C(=O)NC[C@@H](NC(=O)[C@@H](C)NCl)c1ccccc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GPR88 Q9GZN0 6/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 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
SCHEMBL21531697 1.00 RIPK1 (0.41) RIPK1MMP9MMP8ALDH1A1LMNA
SCHEMBL21523105 0.93 RIPK1 (0.41) RIPK1MMP9MMP8GPR88CTSS
SCHEMBL21523104 0.93 RIPK1 (0.41) RIPK1MMP9MMP8GPR88CTSS
SCHEMBL21523106 0.93 RIPK1 (0.41) RIPK1MMP9MMP8GPR88CTSS
SCHEMBL21531698 0.88 CTSK (0.49) CTSSCTSK
SCHEMBL21523022 0.86 GPR88 (0.47) RIPK1GPR88
SCHEMBL21523021 0.86 GPR88 (0.47) RIPK1GPR88
SCHEMBL21523083 0.85 RIPK1 (0.46) RIPK1ALDH1A1LMNA
SCHEMBL21523084 0.85 RIPK1 (0.46) RIPK1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL21523068 0.85 GPR88 (0.47) RIPK1GPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330141-A1 Compositions With A Cooling Effect THE PROCTER & GAMBLE COMPANY 2019-10-31 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-20190330141-A1 Compositions With A Cooling Effect CUTA, FABP4, EBP RIPK1 2148/4885MMP9 2973/4885MMP8 443/4885

“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.