SCHEMBL22966599

SCHEMBL22966599

C[C@H](N1CCCC[C@H]1C(=O)O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.40
REN P00797 4/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
F2 P00734 1/20 0.40
LTA4H P09960 1/20 0.40
MAPT P10636 1/20 0.40
PEPD P12955 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGS1 P23219 1/20 0.40
HTR2A P28223 1/20 0.40
PTGS2 P35354 1/20 0.40
HRH1 P35367 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18897108 0.82 ACE (0.41) ACERENLMNAHSD17B10CYP2C19
SCHEMBL22966485 0.82 ACE (0.41) ACERENLMNAHSD17B10CYP2C19
SCHEMBL14211021 0.82 ACE (0.41) ACERENLMNAHSD17B10CYP2C19
SCHEMBL59537 0.82 ACE (0.41) ACERENLMNAHSD17B10CYP2C19
SCHEMBL58639 0.82 ACE (0.44) ACERENLMNAHSD17B10KDM4E
SCHEMBL584217 0.82 ACE (0.44) ACERENLMNAHSD17B10KDM4E
SCHEMBL584218 0.82 ACE (0.44) ACERENLMNAHSD17B10KDM4E
SCHEMBL28299734 0.79 ACE (0.41) ACERENLMNAHSD17B10CYP2C19
SCHEMBL23733431 0.77 ACE (0.43) ACERENLMNAHSD17B10KDM4E
SCHEMBL2032006 0.77 ACE (0.46) ACERENLMNAHSD17B10CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 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 (1 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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP ACE 1272/4885REN 2677/4885LMNA 4687/4885

“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.