SCHEMBL6298450

SCHEMBL6298450

CC(C)(C)c1cc(S)c2nc(N)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
SCN4A P35499 2/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
NSD1 Q96L73 2/20 0.39
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NSD2 O96028 1/20 0.35
NSD3 Q9BZ95 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 3/20 0.34
PDPK1 O15530 1/20 0.34
PDE10A Q9Y233 1/20 0.34
POLB P06746 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
SCHEMBL24345423 0.80 ALDH1A1 (0.53) HSD17B10SCN4AEPHX2ALDH1A1LMNA
SCHEMBL24345424 0.78 CYP3A4 (0.54) HSD17B10SCN4AEPHX2ALDH1A1LMNA
SCHEMBL6298355 0.73 USP2 (0.39) HSD17B10SCN4AEPHX2ALDH1A1LMNA
SCHEMBL24345434 0.72 CYP3A4 (0.38) HSD17B10SCN4AEPHX2ALDH1A1LMNA
SCHEMBL5679406 0.71 HSD17B10 (0.64) HSD17B10SCN4AEPHX2ALDH1A1LMNA
SCHEMBL11531247 0.70 ALDH1A1 (0.42) HSD17B10ALDH1A1LMNANSD1MAPT
SCHEMBL6724674 0.70 ALDH1A1 (0.42) HSD17B10ALDH1A1LMNANSD1MAPT
SCHEMBL111586 0.69 SCN4A (0.70) HSD17B10SCN4AEPHX2ALDH1A1LMNA
SCHEMBL20043275 0.68 GAA (0.36) HSD17B10ALDH1A1MAPTKDM4EGAA
SCHEMBL5683736 0.68 SCN4A (0.54) HSD17B10SCN4AEPHX2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 US claimed
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP claimed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO claimed
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
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 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 (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 HSD17B10 185/4885SCN4A 4223/4885EPHX2 2436/4885
US-20050075390-A1 HIV protease inhibitors DNPEP, PREP, PEPD HSD17B10 212/4885SCN4A 4280/4885EPHX2 2678/4885

“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.