SCHEMBL7163182

SCHEMBL7163182

CC(C)C[C@@H](C(=O)NCC(=O)CNS(=O)(=O)c1cccc2cccnc12)[N+](=C=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.44
▸ MMP1 P03956 1/20 0.42
▸ ADAM17 P78536 1/20 0.42
▸ HTR6 P50406 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NTSR1 P30989 2/20 0.37

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
SCHEMBL7247887 0.89 HTR6 (0.42) CTSKMMP1ADAM17HTR6KCNH2
SCHEMBL7167328 0.76 CTSK (0.56) CTSKMMP1ADAM17HTR6KCNH2
SCHEMBL7169622 0.75 CTSK (0.45) CTSKMMP1ADAM17HTR6KCNH2
SCHEMBL7468069 0.75 PPARG (0.64) POLBSMN1; SMN2PPARGTSHRALOX15
SCHEMBL7175172 0.74 CTSK (0.53) CTSKMMP1ADAM17HTR6KCNH2
SCHEMBL7164468 0.73 CTSK (0.52) CTSK
SCHEMBL7469945 0.73 MAPK14 (0.45) CTSKMMP1SMN1; SMN2PPARGKMT2A
SCHEMBL7241696 0.73 CTSK (0.41) CTSKMMP1ADAM17HTR6KCNH2
SCHEMBL7167909 0.70 CTSK (0.51) CTSKMMP1ADAM17HTR6KCNH2
SCHEMBL7524135 0.70 MMP1 (0.47) CTSKMMP1ADAM17POLBSMN1; SMN2

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-6562842-B2 Osteoporosis, oral diseases SMITHKLINE BEECHAM CORPORATION 2003-05-13 — — US disclosed
US-20020173469-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-21 — — 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-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885MMP1 22/4885ADAM17 45/4885

“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.

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