SCHEMBL1623299

SCHEMBL1623299

O=C1CC[C@@H](CO)[C@H](COCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PTPN1 P18031 2/20 0.39
CDC25B P30305 1/20 0.39
BUB1 O43683 1/20 0.38
TSHR P16473 1/20 0.38
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
AGTR2 P50052 1/20 0.36
AKT1 P31749 1/20 0.36
DRD1 P21728 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CDC7 O00311 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL19714826 0.88 LMNA (0.48) LMNACYP2C19CYP3A4CYP2C9PTPN1
SCHEMBL16370023 0.82 CYP3A4 (0.45) LMNACYP2C19CYP3A4CYP2C9PTPN1
SCHEMBL4869082 0.78 CTSL (0.47) LMNACYP2C19CYP3A4CYP2C9BUB1
SCHEMBL4869078 0.78 CTSL (0.47) LMNACYP2C19CYP3A4CYP2C9BUB1
SCHEMBL17391117 0.76 TSHR (0.48) LMNATSHRCTSLCTSBCTSK
SCHEMBL21609457 0.76 TSHR (0.48) LMNATSHRCTSLCTSBCTSK
SCHEMBL21609456 0.76 TSHR (0.48) LMNATSHRCTSLCTSBCTSK
SCHEMBL21610692 0.76 TSHR (0.48) LMNATSHRCTSLCTSBCTSK
SCHEMBL13942030 0.76 TSHR (0.48) LMNATSHRCTSLCTSBCTSK
SCHEMBL421810 0.74 CTSL (0.49) LMNABUB1TSHRCTSLCTSB

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-7928091-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2011-04-19 US disclosed
US-20090093444-A1 Cathepsin Cysteine Protease Inhibitors MERCK FROSST CANADA LTD. (CA) 2009-04-09 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-20090093444-A1 Cathepsin Cysteine Protease Inhibitors CTSB, CTSS, CTSZ LMNA 2431/4885CYP2C19 3731/4885CYP3A4 4149/4885

“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.