SCHEMBL6410675

SCHEMBL6410675

CC(C)(C)C(O)Cc1nnc(-c2ccc(F)cc2)o1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
TSHR P16473 2/20 0.58
USP2 O75604 1/20 0.58
NPC1 O15118 7/20 0.50
RAB9A P51151 6/20 0.50
HDAC8 Q9BY41 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NR1H4 Q96RI1 1/20 0.42
CTSK P43235 2/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
EGFR P00533 1/20 0.41
NOTUM Q6P988 1/20 0.40

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
SCHEMBL6404413 1.00 POLB (0.58) POLBTSHRUSP2NPC1RAB9A
SCHEMBL6405041 1.00 POLB (0.58) POLBTSHRUSP2NPC1RAB9A
SCHEMBL6405146 0.86 NR1H4 (0.46) POLBTSHRUSP2NPC1RAB9A
SCHEMBL6406977 0.86 NR1H4 (0.46) POLBTSHRUSP2NPC1RAB9A
SCHEMBL6404372 0.86 NR1H4 (0.46) POLBTSHRUSP2NPC1RAB9A
SCHEMBL6401709 0.85 NOTUM (0.57) POLBTSHRNPC1RAB9AHDAC8
SCHEMBL6408332 0.85 NOTUM (0.57) POLBTSHRNPC1RAB9AHDAC8
SCHEMBL18348889 0.77 TSHR (0.67) POLBTSHRUSP2NPC1RAB9A
SCHEMBL13899427 0.75 TSHR (0.73) POLBTSHRUSP2NPC1RAB9A
SCHEMBL13572955 0.75 TSHR (0.73) POLBTSHRUSP2NPC1RAB9A

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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ POLB 2718/4885TSHR 3805/4885USP2 1110/4885

“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.