SCHEMBL21097668

SCHEMBL21097668

COc1cc(C(C)C)cc2sc(C)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
TSHR P16473 1/20 0.48
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
CRHR1 P34998 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SCN4A P35499 1/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
PDE10A Q9Y233 3/20 0.33
PDE2A O00408 2/20 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
SCHEMBL21098148 0.84 ALDH1A1 (0.34) MAPTTSHRCRHR1RAB9ANPC1
SCHEMBL20049217 0.83 HSD17B10 (0.48) MAPTTSHRCRHR1RAB9ANPC1
SCHEMBL20049128 0.80 NPC1 (0.41) MAPTCRHR1RAB9ANPC1ALDH1A1
SCHEMBL20047500 0.80 CRHR1 (0.32) MAPTTSHRCRHR1RAB9ANPC1
SCHEMBL20049335 0.80 GAA (0.41) MAPTTSHRRAB9ANPC1ALDH1A1
SCHEMBL20049214 0.80 MAPT (0.53) MAPTTSHRALOX15ATMRAB9A
SCHEMBL25749135 0.78 NPC1 (0.38) MAPTTSHRRAB9ANPC1ALDH1A1
SCHEMBL20049190 0.77 SMN1; SMN2 (0.42) MAPTTSHRRAB9ANPC1ALDH1A1
SCHEMBL21098160 0.77 MAPT (0.50) MAPTTSHRALOX15ATMRAB9A
SCHEMBL12109865 0.77 NPC1 (0.37) MAPTTSHRCRHR1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-08-05 US disclosed
WO-2019118571-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2019-06-20 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-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN MAPT 4216/4885TSHR 4536/4885ALOX15 624/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN MAPT 4216/4885TSHR 4536/4885ALOX15 624/4885

“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.