SCHEMBL21961160

SCHEMBL21961160

CC(C)SC(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.46
PPARG P37231 9/20 0.46
ALDH1A1 P00352 2/20 0.43
PTGES O14684 7/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
PTGER4 P35408 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
SCHEMBL28392771 0.83 ALDH1A1 (0.45) ALOX5PPARGALDH1A1PTGESCYP2C9
SCHEMBL21964369 0.79 ALOX5 (0.47) ALOX5PPARGALDH1A1PTGESCYP2C9
SCHEMBL15641295 0.78 AKR1B1 (0.51) ALOX5PPARGALDH1A1CYP2C9CYP2C19
SCHEMBL448107 0.78 AKR1B1 (0.51) ALOX5PPARGALDH1A1CYP2C9CYP2C19
SCHEMBL8120419 0.78 AKR1B1 (0.51) ALOX5PPARGALDH1A1CYP2C9CYP2C19
SCHEMBL27890998 0.76 AKR1B1 (0.50) ALOX5PPARGALDH1A1CYP2C9CYP2C19
SCHEMBL5511628 0.75 ALDH1A1 (0.46) ALOX5PPARGALDH1A1CYP2C9CYP2C19
SCHEMBL6661896 0.74 ALOX5 (0.46) ALOX5PPARGPTGES
SCHEMBL20171040 0.73 SLC6A4 (0.46) ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL21961154 0.73 CYP2D6 (0.46) ALDH1A1LMNAGAA

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 ALOX5 1449/4885PPARG 1357/4885ALDH1A1 2642/4885
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 ALOX5 1585/4885PPARG 1456/4885ALDH1A1 2968/4885
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 ALOX5 1634/4885PPARG 1626/4885ALDH1A1 2845/4885
US-10626096-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 ALOX5 1476/4885PPARG 1346/4885ALDH1A1 2622/4885

“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.