SCHEMBL6703333

SCHEMBL6703333

COC(=O)CSc1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MIF P14174 1/20 0.52
HPGD P15428 5/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPK1 P28482 2/20 0.49
ALOX15 P16050 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
FFAR1 O14842 1/20 0.48
POLB P06746 1/20 0.47
HTT P42858 1/20 0.44
TP53 P04637 2/20 0.43

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
SCHEMBL4398615 0.83 ALDH1A1 (0.54) KMT2ANPC1RAB9AHPGDMAPT
SCHEMBL8316805 0.82 CCNB2 (0.48) KMT2ANPC1RAB9AMIFHPGD
SCHEMBL1121674 0.80 NPC1 (0.53) KMT2ANPC1RAB9AHPGDMAPT
SCHEMBL11736051 0.79 L3MBTL1 (0.54) KMT2ANPC1RAB9AHPGDMAPT
SCHEMBL2213224 0.78 HPGD (0.56) KMT2ANPC1RAB9AHPGDMAPT
SCHEMBL8639480 0.77 NPC1 (0.50) KMT2ANPC1RAB9AHPGDMAPT
SCHEMBL11738365 0.77 RAB9A (0.61) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL1520869 0.77 NPC1 (0.53) KMT2ANPC1RAB9AHPGDMAPT
SCHEMBL11171960 0.76 L3MBTL1 (0.49) KMT2ANPC1RAB9AHPGDMAPT
SCHEMBL13610029 0.76 RAB9A (0.40) KMT2ANPC1RAB9AMIFHPGD

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-20040116490-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-06-17 US disclosed
EP-1381360-A1 COMPOUNDS AND METHODS FOR INHIBITING METAP2 IN MAMMALS SmithKline Beecham Corporation (US) 2004-01-21 EP disclosed
WO-2002078697-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed
US-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases DAVIDSEN STEVEN K (US) 2002-01-17 US disclosed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 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-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 KMT2A 2306/4885NPC1 2824/4885RAB9A 3374/4885

“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.