SCHEMBL5768896

SCHEMBL5768896

COC(=O)CC(NC(=O)OC(C)(C)C)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CTSA P10619 13/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
AGTR1 P30556 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FDFT1 P37268 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
SCHEMBL1147244 0.88 CTSA (0.56) CTSA
SCHEMBL3447780 0.86 CACNA1B (0.47) RAB9ACTSAATMALDH1A1LMNA
SCHEMBL10216878 0.85 CTSS (0.42) KMT2AMEN1CTSAATMALDH1A1
SCHEMBL13306842 0.85 CTSS (0.42) KMT2AMEN1CTSAATMALDH1A1
SCHEMBL31444515 0.85 CTSS (0.42) KMT2AMEN1CTSAATMALDH1A1
SCHEMBL28293920 0.85 CTSS (0.45) RAB9AKMT2AMEN1ATMALDH1A1
SCHEMBL28265926 0.85 CTSS (0.45) RAB9AKMT2AMEN1ATMALDH1A1
SCHEMBL3447675 0.85 CTSS (0.45) RAB9AKMT2AMEN1CTSAATM
SCHEMBL27886474 0.85 CTSS (0.45) RAB9AKMT2AMEN1ATMALDH1A1
SCHEMBL10217092 0.84 CTSS (0.41) KMT2AMEN1CTSAATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 RAB9A 3002/4885KMT2A 1262/4885MEN1 824/4885

“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.