SCHEMBL22044797

SCHEMBL22044797

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 3/20 0.43
CYP17A1 P05093 4/20 0.41
MEN1 O00255 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 3/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NAMPT P43490 1/20 0.39
SYK P43405 1/20 0.39
RORC P51449 2/20 0.38
ACSS2 Q9NR19 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
HTT P42858 1/20 0.37
MDM2 Q00987 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL22044738 0.83 NAMPT (0.44) NR1I3CYP17A1MEN1ALDH1A1MAPT
SCHEMBL22044800 0.77 PSEN1 (0.39) MEN1ALDH1A1MAPTKMT2ALMNA
SCHEMBL22045988 0.77 KCNH2 (0.34) MEN1ALDH1A1MAPTKMT2ALMNA
SCHEMBL30046221 0.77 PSEN1 (0.39) MEN1ALDH1A1MAPTKMT2ALMNA
SCHEMBL2726776 0.76 KDM4E (0.44) CYP17A1MEN1ALDH1A1KMT2ALMNA
SCHEMBL6852117 0.75 CA12 (0.45) NR1I3CYP17A1ALDH1A1NAMPTCA12
SCHEMBL21988644 0.75 MAPT (0.46) MEN1ALDH1A1MAPTKMT2ALMNA
SCHEMBL21988643 0.75 MAPT (0.46) MEN1ALDH1A1MAPTKMT2ALMNA
SCHEMBL21989072 0.75 MAPT (0.46) MEN1ALDH1A1MAPTKMT2ALMNA
SCHEMBL30046304 0.75 MAPT (0.46) MEN1ALDH1A1MAPTKMT2ALMNA

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 NR1I3 386/4885CYP17A1 1998/4885MEN1 3178/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L NR1I3 386/4885CYP17A1 1998/4885MEN1 3178/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L NR1I3 386/4885CYP17A1 1998/4885MEN1 3178/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L NR1I3 386/4885CYP17A1 1998/4885MEN1 3178/4885

“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.