SCHEMBL22044800

SCHEMBL22044800

C[C@@H](O)c1cc(OCC(=O)OC(C)(C)C)ccc1-n1cccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
PTGDR Q13258 1/20 0.38
FPR2 P25090 3/20 0.36
PTPN1 P18031 2/20 0.36
PTGER2 P43116 1/20 0.36
KCNH2 Q12809 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C8 P10632 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
DDB1 Q16531 1/20 0.34

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
SCHEMBL30046221 1.00 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21989074 0.86 PTGDR (0.48) PTGDRPTGER2KCNH2CYP2C9CYP2C8
SCHEMBL22044792 0.84 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22044799 0.84 ALDH1A1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22045988 0.81 KCNH2 (0.34) KCNH2CYP2C9CYP2C8ALDH1A1KDM4E
SCHEMBL22045494 0.79 PTGDR (0.34) PTGDRFPR2PTPN1KCNH2CYP2C9
SCHEMBL22044797 0.77 NR1I3 (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL30046219 0.75 KCNH2 (0.53) PTGDRFPR2KCNH2CYP2C9CYP2C8
SCHEMBL22044826 0.75 KCNH2 (0.42) FPR2KCNH2CYP2C9CYP2C8ALDH1A1
SCHEMBL22045492 0.74 HCRTR2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-11014908-B2 Chemical compounds PFIZER INC. (US) 2021-05-25 US disclosed
WO-2020109994-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN PFIZER INC. (US) 2020-06-04 WO disclosed
US-20200172512-A1 Chemical Compounds PFIZER INC. (US) 2020-06-04 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-20200172512-A1 Chemical Compounds HBZ, HBB, HBS1L PSEN1 1182/4885PSEN2 1858/4885APH1B 3803/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L PSEN1 1182/4885PSEN2 1858/4885APH1B 3803/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L PSEN1 1182/4885PSEN2 1858/4885APH1B 3803/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L PSEN1 1182/4885PSEN2 1858/4885APH1B 3803/4885

“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.