SCHEMBL24658482

SCHEMBL24658482

CCCCC(C)(N=S)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
FDPS P14324 1/20 0.32
GPR84 Q9NQS5 6/20 0.32
PPARG P37231 6/20 0.32
PPARD Q03181 6/20 0.32
PPARA Q07869 6/20 0.32
HDAC11 Q96DB2 5/20 0.32
TSHR P16473 4/20 0.32
ALDH1A1 P00352 2/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
PTPN1 P18031 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL22905390 0.79 ACLY (0.34) AKR1B1CA2MAPK1FDPSGPR84
SCHEMBL24658280 0.79 MEN1 (0.36) CA2ALDH1A1MEN1KMT2A
SCHEMBL11199756 0.77 CES2 (0.39) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL28799371 0.76 ALDH1A1 (0.32) AKR1B1CA2MAPK1FDPSGPR84
SCHEMBL15158061 0.76 CES2 (0.32) AKR1B1CA2MAPK1FDPSGPR84
SCHEMBL4907468 0.76 ALDH1A1 (0.32) AKR1B1CA2MAPK1FDPSGPR84
SCHEMBL11208260 0.75 CES2 (0.42) GPR84PPARGPPARDPPARAHDAC11
Pentane SCHEMBL29078898 0.72 ALDH1A1 (0.35) AKR1B1CA2MAPK1GPR84PPARG
SCHEMBL249872 0.70 ACLY (0.56) AKR1B1CA2MAPK1GPR84PPARG
SCHEMBL2201929 0.70 TSHR (0.46) AKR1B1CA2MAPK1GPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220274985-A1 PROCESSES FOR PREPARING TOLL-LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2022-09-01 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-20220274985-A1 PROCESSES FOR PREPARING TOLL-LIKE RECEPTOR MODULATOR COMPOUNDS TLR4, TLR3, TLR6 AKR1B1 3347/4885CA2 3480/4885MAPK1 646/4885

“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.