Sugi Predict

Sugi Predict / Compounds / SCHEMBL4907468

SCHEMBL4907468

SCHEMBL4907468

CCCC[C@](C)(N=C=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ AKR1B1 P15121 1/20 0.31
▸ FDPS P14324 1/20 0.31
▸ PPARG P37231 6/20 0.30
▸ PPARD Q03181 6/20 0.30
▸ PPARA Q07869 6/20 0.30
▸ HDAC11 Q96DB2 5/20 0.30
▸ TSHR P16473 4/20 0.30
▸ GPR84 Q9NQS5 4/20 0.30
▸ TLR2 O60603 2/20 0.30
▸ TDP1 Q9NUW8 2/20 0.30
▸ FABP4 P15090 2/20 0.30
▸ PTPN1 P18031 2/20 0.30
▸ SLC22A6 Q4U2R8 1/20 0.30
▸ SLC22A8 Q8TCC7 1/20 0.30
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL28799371 1.00 ALDH1A1 (0.32) ALDH1A1KMT2AMAPTCA2MAPK1
SCHEMBL9232871 0.90 FFAR1 (0.35) ALDH1A1TSHRTDP1FFAR1
SCHEMBL17822676 0.88 ALDH1A1 (0.34) ALDH1A1HSD17B10
SCHEMBL17028736 0.80 FFAR1 (0.33) TDP1FFAR1
SCHEMBL129772 0.80 FFAR1 (0.33) TDP1FFAR1
SCHEMBL8729386 0.79 TSHR (0.32) ALDH1A1TSHR
SCHEMBL4468948 0.78 KMT2A (0.32) ALDH1A1KMT2AMAPTAKR1B1FDPS
SCHEMBL11697931 0.77 — —
SCHEMBL24658482 0.76 AKR1B1 (0.33) ALDH1A1KMT2ACA2MAPK1AKR1B1
SCHEMBL22905390 0.76 ACLY (0.34) ALDH1A1KMT2ACA2MAPK1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 — — US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 — — US disclosed
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 — — US disclosed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 — — 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 (3 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-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE ALDH1A1 4266/4885KMT2A 1064/4885MAPT 3861/4885
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ ALDH1A1 2900/4885KMT2A 388/4885MAPT 3643/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE ALDH1A1 4266/4885KMT2A 1064/4885MAPT 3861/4885

“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.