SCHEMBL21987295

SCHEMBL21987295

COC(=O)CS(=O)(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 3/20 0.45
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
APEX1 P27695 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7011871 0.84 MAPT (0.54) ALDH1A1MAPTNPSR1TP53TSHR
SCHEMBL17557666 0.82 CYP3A4 (0.40) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL14490928 0.81 TP53 (0.48) ALDH1A1MAPTHPGDNPSR1HSD17B10
Hydrochloric Acid SCHEMBL17557631 0.81 CYP3A4 (0.40) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL19201201 0.79 NCF1 (0.39) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL21798284 0.79 TSHR (0.38) ALDH1A1MAPTHPGDNPSR1HSD17B10
Hydrochloric Acid SCHEMBL19183246 0.78 CYP3A4 (0.38) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL6586759 0.75 MAPT (0.60) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL1199921 0.75 GLA (0.46) ALDH1A1GAAL3MBTL1
SCHEMBL17557750 0.75 CNR1 (0.36) ALDH1A1MAPTHPGDNPSR1HSD17B10

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 ALDH1A1 1615/4885MAPT 4502/4885HPGD 135/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 ALDH1A1 1584/4885MAPT 1799/4885HPGD 108/4885

“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.