SCHEMBL21961155

SCHEMBL21961155

CC(C)SCc1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.49
FOLH1 Q04609 2/20 0.49
MAPT P10636 2/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC8 Q9BY41 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 2/20 0.41
CLCN2 P51788 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL448073 0.82 ALDH1A1 (0.44) ALDH1A1GAALMNAFOLH1MAPT
SCHEMBL7541786 0.80 ALDH1A1 (0.43) ALDH1A1GAALMNAFOLH1MAPT
SCHEMBL4215184 0.79 ALDH1A1 (0.54) ALDH1A1GAALMNAFOLH1MAPT
SCHEMBL28560174 0.79 ALDH1A1 (0.57) ALDH1A1GAALMNAFOLH1MAPT
SCHEMBL8304503 0.76 ALDH1A1 (0.51) ALDH1A1GAALMNAFOLH1MAPT
SCHEMBL21964367 0.76 ALDH1A1 (0.51) ALDH1A1GAALMNAFOLH1MAPT
SCHEMBL2073571 0.76 ALDH1A1 (0.54) ALDH1A1GAALMNAFOLH1MAPT
SCHEMBL157592 0.76 FOLH1 (0.53) ALDH1A1LMNAFOLH1MAPTALOX15
SCHEMBL19571032 0.75 GABRA1 (0.43) ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL28115 0.74 FOLH1 (0.61) ALDH1A1GAAFOLH1MAPTALOX15

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-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-05-12 US disclosed
US-11155525-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2021-10-26 US disclosed
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-05 US disclosed
US-10626096-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2020-04-21 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 (4 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-11155525-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 ALDH1A1 2642/4885GAA 4811/4885LMNA 1531/4885
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 ALDH1A1 2968/4885GAA 4828/4885LMNA 1614/4885
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 ALDH1A1 2845/4885GAA 4811/4885LMNA 1636/4885
US-10626096-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 ALDH1A1 2622/4885GAA 4813/4885LMNA 1566/4885

“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.