SCHEMBL7244091

SCHEMBL7244091

CC(C)C[C@H](NC(=O)Cc1ccccn1)C(=O)NCC(O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.46
▸ CTSS P25774 2/20 0.46
▸ KMT2A Q03164 1/20 0.43
▸ TARS1 P26639 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MMP2 P08253 3/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ADAMTS4 O75173 3/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ MMP14 P50281 2/20 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
SCHEMBL7163244 0.87 CTSK (0.46) CTSKCTSSKMT2ATARS1POLB
SCHEMBL7164038 0.80 CTSK (0.62) CTSKCTSSMMP13
SCHEMBL7163920 0.78 TARS1 (0.54) CTSKCTSSTARS1MMP2CA2
SCHEMBL7241035 0.78 HSP90AA1 (0.43) CTSKCTSSTARS1SMN1; SMN2HTT
SCHEMBL7616420 0.77 CTSK (0.44) CTSKCTSSKMT2AMMP2CA2
SCHEMBL7338790 0.76 CTSK (0.47) CTSKCTSSKMT2ATARS1POLB
SCHEMBL7816028 0.75 CA5A (0.56) CTSKCTSSMMP13
SCHEMBL7248005 0.75 CTSK (0.59) CTSKCTSSTARS1SMN1; SMN2LMNA
SCHEMBL7168553 0.73 CTSK (0.42) CTSKCTSSTARS1SMN1; SMN2HTT
SCHEMBL10408956 0.72 FNTA (0.51) SMN1; SMN2MAPK1ALDH1A1

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-6586466-B2 Enzyme inhibitor for use in the treatment of bone, oral, arthritic, paget's and hypercalcemic diseases SMITHKLINE BEECHAM CORPORATION 2003-07-01 — — US disclosed
US-20020077455-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-20 — — 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-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885CTSS 8/4885KMT2A 2970/4885

“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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