SCHEMBL6297776

SCHEMBL6297776

Cc1csc(CCC(=O)C(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HSP90AA1 P07900 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
FDPS P14324 1/20 0.34
NOS1 P29475 1/20 0.33
POLB P06746 1/20 0.33
SLC5A7 Q9GZV3 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL6296609 0.82 DRD4 (0.38) RAB9AALDH1A1POLB
SCHEMBL9659322 0.79 RAB9A (0.42) SMN1; SMN2MAPTALOX15TSHRHSD17B10
SCHEMBL7356937 0.78 SMN1; SMN2 (0.39) SMN1; SMN2MAPTALOX15TSHRHSD17B10
SCHEMBL6298490 0.75 FDPS (0.44) TSHRLMNAALDH1A1FDPS
SCHEMBL1846533 0.75 RAB9A (0.41) SMN1; SMN2MAPTALOX15TSHRHSD17B10
SCHEMBL6296552 0.73 SMN1; SMN2 (0.47) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL12753492 0.73 SMN1; SMN2 (0.36) SMN1; SMN2MAPTALOX15TSHRHSD17B10
SCHEMBL634118 0.72
SCHEMBL5427662 0.72
SCHEMBL2710803 0.71 MAPK1 (0.46) SMN1; SMN2MAPTNPC1RAB9AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075390-A1 HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 2005-04-07 US disclosed
US-6852711-B2 Novel dihydropyrones with tethered heterocycles having improved pharmacologic properties which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The dihydropyrones are useful in the development of therapies for AGOURON PHARMACEUTICALS, INC. (US) 2005-02-08 US disclosed
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 US disclosed
US-6528510-B1 Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; WARNER-LAMBERT COMPANY 2003-03-04 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 (2 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-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD SMN1; SMN2 4359/4885MAPT 1327/4885ALOX15 2858/4885
US-20050075390-A1 HIV protease inhibitors DNPEP, PREP, PEPD SMN1; SMN2 4356/4885MAPT 1198/4885ALOX15 2899/4885

“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.