SCHEMBL20624974

SCHEMBL20624974

COC(=O)CC(=O)C1CCCC2(C1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
ALDH1A1 P00352 5/20 0.34
CYP2C19 P33261 4/20 0.34
TSHR P16473 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MAPK1 P28482 3/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CYP3A4 P08684 2/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL584297 0.87 CYP2C19 (0.38) MMP13MMP1MMP2MMP3ALDH1A1
SCHEMBL1812235 0.81 MMP2 (0.38) MMP13MMP1MMP2MMP3ALDH1A1
SCHEMBL21987643 0.81 ALDH1A1 (0.40) ALDH1A1CYP2C19TSHRKMT2AMEN1
SCHEMBL11071555 0.78 APLNR (0.34) TSHRMGAMGAASIMGAM2
SCHEMBL584691 0.78 GAA (0.39) ALDH1A1CYP2C19TSHRKMT2AMEN1
SCHEMBL2718873 0.78 MMP13 (0.36) MMP13MMP1MMP2MMP3ALDH1A1
SCHEMBL2718874 0.78 MMP13 (0.36) MMP13MMP1MMP2MMP3ALDH1A1
SCHEMBL24589164 0.77 CYP2C19 (0.34) MMP13MMP1MMP2MMP3ALDH1A1
SCHEMBL13342708 0.75 CYP2C19 (0.33) MMP13MMP1MMP2MMP3ALDH1A1
SCHEMBL13308632 0.75 CYP3A4 (0.48) ALDH1A1CYP2C19TSHRKMT2AMEN1

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 6 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-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
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
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
WO-2019001420-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2019-01-03 WO 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 MMP13 3227/4885MMP1 4357/4885MMP2 2040/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 MMP13 4163/4885MMP1 4640/4885MMP2 3029/4885

“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.