SCHEMBL4818248

SCHEMBL4818248

CC(C)C[C@@H](CNc1ccon1)NC(=O)[C@@H]1CCCC[C@@H]1N

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.39
TSHR P16473 7/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C19 P33261 6/20 0.38
CTSC P53634 5/20 0.38
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4818242 0.90 ATM (0.34) CYP2C9TSHRALDH1A1CYP2C19SMN1; SMN2
SCHEMBL4821419 0.82 LMNA (0.44) CYP2C9TSHRALDH1A1HSD17B10CYP2C19
SCHEMBL4824861 0.80 TSHR (0.46) CYP2C9TSHRALDH1A1HSD17B10CYP2C19
SCHEMBL4826884 0.80 TSHR (0.46) CYP2C9TSHRALDH1A1HSD17B10CYP2C19
SCHEMBL4818780 0.79 CYP2C9 (0.41) CYP2C9TSHRALDH1A1HSD17B10CYP2C19
SCHEMBL4826964 0.78 CCR1 (0.41) CYP2C9TSHRALDH1A1HSD17B10CYP2C19
SCHEMBL4823987 0.78 CTSC (0.40) CYP2C9TSHRALDH1A1HSD17B10CYP2C19
SCHEMBL4827332 0.77 TSHR (0.43) CYP2C9TSHRALDH1A1HSD17B10CYP2C19
SCHEMBL4824915 0.77 SMN1; SMN2 (0.45) CYP2C9TSHRALDH1A1HSD17B10CYP2C19
SCHEMBL4827335 0.76 CTSS (0.44) CYP2C9TSHRALDH1A1HSD17B10CYP2C19

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-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US claimed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 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-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF CYP2C9 1781/4885TSHR 2926/4885ALDH1A1 1616/4885

“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.