SCHEMBL7426792

SCHEMBL7426792

CC(=O)SCC(C)(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C19 P33261 2/20 0.34
ACLY P53396 1/20 0.34
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
ATM Q13315 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CPB2 Q96IY4 1/20 0.32

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
SCHEMBL14280360 0.84 ACLY (0.31) TSHRALDH1A1CYP2C19ACLYCYP2D6
SCHEMBL13212714 0.80 TSHR (0.44) TSHRALDH1A1CYP2C19CYP2D6HIF1A
SCHEMBL12050476 0.78 TSHR (0.33) TSHRALDH1A1CYP2C19ACLYCYP2D6
SCHEMBL11214932 0.78 ALDH1A1 (0.33) ALDH1A1CYP2C19POLBBLMATM
SCHEMBL8310580 0.78 TSHR (0.33) TSHRALDH1A1CYP2C19ACLYCYP2D6
SCHEMBL7339999 0.76 TSHR (0.33) TSHRALDH1A1CYP2C19CYP2D6HIF1A
SCHEMBL12710486 0.76
SCHEMBL8609242 0.76 TSHR (0.40) TSHRALDH1A1CYP2C19ACLYCYP2D6
SCHEMBL15120370 0.75 DGAT1 (0.35) ALDH1A1CYP2C19POLBBLMATM
SCHEMBL23352052 0.75 CYP2C19 (0.46) TSHRCYP2C19CYP2D6BLM

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 4 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
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP disclosed
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP 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 TSHR 4103/4885ALDH1A1 1615/4885CYP2C19 689/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 TSHR 3525/4885ALDH1A1 1584/4885CYP2C19 128/4885

“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.