SCHEMBL25527233

SCHEMBL25527233

CO[C@H]1CC[C@H](C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
GABRR1 P24046 1/20 0.37
BTK Q06187 1/20 0.36
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
LMNA P02545 1/20 0.35
APLNR P35414 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 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
SCHEMBL1072140 1.00 ACE (0.39) ACEAKR1C3AKR1C1PDE4APDE4B
SCHEMBL12065403 1.00 ACE (0.39) ACEAKR1C3AKR1C1PDE4APDE4B
SCHEMBL10358341 0.88 ACE (0.35) ACEAKR1C3AKR1C1PDE4APDE4B
SCHEMBL14041804 0.87 BTK (0.45) ACEPDE4APDE4BPDE4CPDE4D
SCHEMBL14425477 0.87 BTK (0.45) ACEPDE4APDE4BPDE4CPDE4D
SCHEMBL14042369 0.87 BTK (0.45) ACEPDE4APDE4BPDE4CPDE4D
SCHEMBL504043 0.87 BTK (0.45) ACEPDE4APDE4BPDE4CPDE4D
SCHEMBL322695 0.86 LMNA (0.43) PDE4APDE4BPDE4CPDE4DPLG
SCHEMBL2444574 0.86 LMNA (0.43) PDE4APDE4BPDE4CPDE4DPLG
SCHEMBL1979948 0.86 LMNA (0.43) PDE4APDE4BPDE4CPDE4DPLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141852-A1 CDK2 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF 益方生物科技(上海)股份有限公司 2023-08-03 WO disclosed
US-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-05-25 US disclosed
US-20160168088-A1 1-[1-(BENZOYL)-PYRROLIDINE-2-CARBONYL]-PYRROLIDINE-2-CARBONITRILE DERIVATIVES IPROTEOS S,L, (ES) 2016-06-16 US disclosed
US-20080274107-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-11-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 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 (3 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-20230159536-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS C5, C9, C1QBP ACE 70/4885AKR1C3 288/4885AKR1C1 1301/4885
US-20160168088-A1 1-[1-(BENZOYL)-PYRROLIDINE-2-CARBONYL]-PYRROLIDINE-2-CARBONITRILE DERIVATIVES BDNF, GRIN2A, NLN ACE 887/4885AKR1C3 1807/4885AKR1C1 1686/4885
US-20080274107-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 ACE 2212/4885AKR1C3 2568/4885AKR1C1 3288/4885

“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.