SCHEMBL7471971

SCHEMBL7471971

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MMP1 P03956 1/20 0.50
ADAM17 P78536 1/20 0.50
PPARG P37231 1/20 0.49
MAPT P10636 3/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 4/20 0.47
KDM4E B2RXH2 3/20 0.47
APOBEC3G Q9HC16 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 2/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL7471968 0.81 MMP1 (0.52) POLBMMP1ADAM17PPARGMAPT
SCHEMBL12132459 0.80 ALDH1A1 (0.58) POLBPPARGMAPTHSD17B10KMT2A
SCHEMBL5098994 0.80 NTSR1 (0.58) POLBMMP1ADAM17PPARGMAPT
SCHEMBL5099014 0.80 NTSR1 (0.58) POLBMMP1ADAM17PPARGMAPT
SCHEMBL18753347 0.77 KDM4E (0.56) POLBPPARGMAPTHSD17B10KMT2A
SCHEMBL21037164 0.76 MAPT (0.53) POLBPPARGMAPTHSD17B10KMT2A
SCHEMBL7468728 0.76 MMP1 (0.52) MMP1ADAM17MAPTKMT2AMEN1
SCHEMBL27476059 0.76 L3MBTL1 (0.44) KMT2ACYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL7473562 0.76 L3MBTL1 (0.44) KMT2ACYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL5881832 0.74 MAPK1 (0.60) POLBPPARGMAPTHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US 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 POLB 3324/4885MMP1 94/4885ADAM17 23/4885

“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.