SCHEMBL19020179

SCHEMBL19020179

CC(C)(C)OC(=O)NCC(=O)N[C@H](CO)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
CTSK P43235 4/20 0.49
CTSS P25774 3/20 0.49
SLC6A9 P48067 1/20 0.45
GPR88 Q9GZN0 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SYK P43405 1/20 0.44
EPHX2 P34913 2/20 0.43
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43
GPR139 Q6DWJ6 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL21350190 1.00 RIPK1 (0.52) RIPK1CTSKCTSSSLC6A9GPR88
SCHEMBL18989461 0.88 SMN1; SMN2 (0.48) CTSKCTSSSLC6A9ALDH1A1LMNA
SCHEMBL18989460 0.88 SMN1; SMN2 (0.48) CTSKCTSSSLC6A9ALDH1A1LMNA
SCHEMBL3349953 0.86 RIPK1 (0.60) RIPK1CTSKCTSSGPR88CTSL
SCHEMBL127326 0.86 RIPK1 (0.60) RIPK1CTSKCTSSGPR88CTSL
SCHEMBL2481921 0.86 RIPK1 (0.60) RIPK1CTSKCTSSGPR88CTSL
SCHEMBL9300286 0.85 TSHR (0.54) CTSKCTSSSLC6A9ALDH1A1LMNA
SCHEMBL21531695 0.84 GPR139 (0.53) CTSKCTSSSLC6A9TAOK1TAOK3
SCHEMBL15145801 0.84 GPR139 (0.62) CTSKGPR139
SCHEMBL16265379 0.84 GPR139 (0.62) CTSKGPR139

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-20190276389-A1 SYNTHESIS OF ARYL CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY 2019-09-12 US disclosed
WO-2017106279-A1 SYNTHESIS OF CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2017-06-22 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 (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-20190276389-A1 SYNTHESIS OF ARYL CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS CUTA, TAS2R8, TRPA1 RIPK1 1881/4885CTSK 1573/4885CTSS 1037/4885

“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.