SCHEMBL21987659

SCHEMBL21987659

CC(=O)SCC1CCC(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.50
PLAT P00750 1/20 0.50
LMNA P02545 1/20 0.50
ANPEP P15144 1/20 0.41
ENPEP Q07075 1/20 0.41
ACE P12821 4/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35

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
Acetic Acid SCHEMBL9900974 0.87 ACE (0.46) PLGPLATLMNAACEJAK2
Acetic Acid SCHEMBL9900145 0.85 ACE (0.45) PLGPLATLMNAACEJAK2
SCHEMBL21987712 0.82 APLNR (0.37) PLGPLATLMNAANPEPACE
SCHEMBL21987549 0.79 TP53 (0.39) ACEJAK2JAK1TYK2JAK3
SCHEMBL20261186 0.79 TP53 (0.39) ACEJAK2JAK1TYK2JAK3
Acetic Acid SCHEMBL9900147 0.79 ACE (0.37) ACEJAK2JAK1TYK2JAK3
SCHEMBL3347674 0.79 LMNA (0.54) PLGPLATLMNAANPEPENPEP
Acetonitrile SCHEMBL5397687 0.78 ACE (0.36) ACEJAK2JAK1TYK2JAK3
Acetic Acid Methyl Ester SCHEMBL2477680 0.78 ALDH1A1 (0.42) ACEJAK2JAK1TYK2JAK3
Ammonia Solution, Strong SCHEMBL7435862 0.77 ACE (0.39) ACEJAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 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 (2 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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL PLG 3658/4885PLAT 2143/4885LMNA 3136/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 PLG 3723/4885PLAT 1839/4885LMNA 2714/4885

“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.