SCHEMBL20347155

SCHEMBL20347155

CC(C)(C)OC(Cc1ccc(NC(=O)c2ccccc2)cc1)(C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
PPARA Q07869 2/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
PTPN1 P18031 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
PGR P06401 1/20 0.48
POLB P06746 2/20 0.48
SIRT1 Q96EB6 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL20333771 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL20347415 0.83 PTPN1 (0.46) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL22216489 0.83 MAPT (0.57) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL22216671 0.83 MEN1 (0.60) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL13152874 0.82 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL19961863 0.81 SMN1; SMN2 (0.48) SMN1; SMN2PPARAPTPN1ALDH1A1
SCHEMBL20333766 0.79 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL21602301 0.79 LMNA (0.44) NPC1SMN1; SMN2MAPTGAAALDH1A1
SCHEMBL20350671 0.77 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL20347162 0.77 HPGD (0.50) NPC1RAB9ASMN1; SMN2KDM4EPTPN1

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-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-05 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 NPC1 885/4885RAB9A 3127/4885SMN1; SMN2 3679/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 NPC1 885/4885RAB9A 3127/4885SMN1; SMN2 3679/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 NPC1 885/4885RAB9A 3127/4885SMN1; SMN2 3679/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 NPC1 885/4885RAB9A 3127/4885SMN1; SMN2 3679/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 NPC1 885/4885RAB9A 3127/4885SMN1; SMN2 3679/4885

“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.