SCHEMBL21961154

SCHEMBL21961154

CC(C)SC(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 3/20 0.42
PKM P14618 2/20 0.42
APAF1 O14727 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AURKB Q96GD4 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
SCHEMBL14506219 0.87 SRC (0.54) CYP2D6SRCLMNAMAPK1ALDH1A1
SCHEMBL8754204 0.83 KMT2A (0.36) CYP2D6SRCLMNAMAPK1ALDH1A1
SCHEMBL15068233 0.82 CYP2D6 (0.45) CYP2D6SRCLMNAMAPK1PTGS2
SCHEMBL11842957 0.79 CYP2A6 (0.44) LMNAPTGS2L3MBTL1SMN1; SMN2
SCHEMBL4740644 0.78 SRC (0.50) CYP2D6SRCLMNAMAPK1ALDH1A1
SCHEMBL21687919 0.78 SRC (0.50) CYP2D6SRCLMNAMAPK1ALDH1A1
SCHEMBL21687922 0.78 SRC (0.50) CYP2D6SRCLMNAMAPK1ALDH1A1
SCHEMBL11832522 0.78 PTGS2 (0.43) PTGS2
SCHEMBL4828917 0.78 SRC (0.54) CYP2D6SRCLMNAMAPK1ALDH1A1
SCHEMBL2119361 0.75 CYP2D6 (0.46) CYP2D6SRCLMNAMAPK1PTGS2

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 CYP2D6 3592/4885SRC 1178/4885LMNA 1531/4885
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 CYP2D6 3789/4885SRC 1015/4885LMNA 1614/4885
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 CYP2D6 3775/4885SRC 1129/4885LMNA 1636/4885
US-10626096-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 CYP2D6 3607/4885SRC 1204/4885LMNA 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.