SCHEMBL7524135

SCHEMBL7524135

CC(C)C[C@H](NS(=O)(=O)c1cccc2cccnc12)C(=O)NCC(=O)CNC(=O)c1cccc2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.47
▸ ADAM17 P78536 2/20 0.47
▸ CTSK P43235 2/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGAV P06756 1/20 0.44
▸ NTSR1 P30989 2/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7532726 0.89 CTSK (0.55) MMP1ADAM17CTSKCYP1A2CYP3A4
SCHEMBL7561995 0.85 MMP1 (0.49) MMP1ADAM17CTSKMEN1KMT2A
SCHEMBL7563529 0.81 CTSL (0.52) MMP1ADAM17CTSKMEN1KMT2A
SCHEMBL7560380 0.80 CTSK (0.49) MMP1ADAM17CTSKMEN1KMT2A
SCHEMBL7533265 0.80 MMP1 (0.46) MMP1ADAM17CTSKMEN1KMT2A
SCHEMBL5098994 0.80 NTSR1 (0.58) MMP1ADAM17ITGB3ITGAVNTSR1
SCHEMBL5099014 0.80 NTSR1 (0.58) MMP1ADAM17ITGB3ITGAVNTSR1
SCHEMBL7673959 0.80 MMP1 (0.45) MMP1ADAM17CTSKNTSR1MEN1
SCHEMBL7167328 0.79 CTSK (0.56) MMP1ADAM17CTSKNTSR1MEN1
SCHEMBL7530060 0.79 CTSK (0.69) MMP1ADAM17CTSKMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 — — EP claimed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 — — US claimed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 — — EP claimed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 — — WO claimed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 — — EP disclosed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 — — US disclosed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 — — EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 — — WO 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-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ MMP1 94/4885ADAM17 23/4885CTSK 22/4885

“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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