SCHEMBL20333385

SCHEMBL20333385

CCOC(=O)C(Cc1ccccc1)(OC(C)(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.56
ALDH1A1 P00352 2/20 0.52
RECQL P46063 1/20 0.52
PIN1 Q13526 1/20 0.44
MAPT P10636 2/20 0.41
PPID Q08752 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GPR119 Q8TDV5 5/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRB P23467 1/20 0.39
ACP1 P24666 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL20350605 0.94 MMP8 (0.58) MMP8ALDH1A1RECQLPIN1MAPT
SCHEMBL20347159 0.90 ALDH1A1 (0.55) MMP8ALDH1A1RECQLPIN1MAPT
SCHEMBL19961863 0.86 SMN1; SMN2 (0.48) MMP8ALDH1A1RECQLSMN1; SMN2HIF1A
SCHEMBL24983274 0.84 KDM4E (0.47) MMP8ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL16865453 0.81 ALDH1A1 (0.57) MMP8ALDH1A1RECQLPIN1MAPT
SCHEMBL7431853 0.81 ALDH1A1 (0.57) MMP8ALDH1A1RECQLPIN1MAPT
SCHEMBL10821760 0.80 MMP8 (0.63) MMP8ALDH1A1RECQLPIN1MAPT
SCHEMBL8710582 0.78 MMP8 (0.79) MMP8ALDH1A1RECQLPIN1MAPT
SCHEMBL1492859 0.78 MMP8 (0.65) MMP8ALDH1A1RECQLPIN1MAPT
SCHEMBL21602301 0.77 LMNA (0.44) ALDH1A1MAPTSMN1; SMN2HIF1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US disclosed
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US disclosed
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-26 US disclosed
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 US disclosed
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-07-16 US disclosed
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2020-02-25 US disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 US disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 US disclosed
WO-2018119284-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-06-28 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 (6 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 MMP8 214/4885ALDH1A1 527/4885RECQL 644/4885
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 MMP8 214/4885ALDH1A1 527/4885RECQL 644/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 MMP8 214/4885ALDH1A1 527/4885RECQL 644/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 MMP8 214/4885ALDH1A1 527/4885RECQL 644/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 MMP8 214/4885ALDH1A1 527/4885RECQL 644/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 MMP8 214/4885ALDH1A1 527/4885RECQL 644/4885

“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.