SCHEMBL22216489

SCHEMBL22216489

COc1ccccc1C(=O)Nc1ccc(CC(OC(C)(C)C)(C(=O)O)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 4/20 0.56
RAB9A P51151 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPK1 P28482 3/20 0.54
TP53 P04637 2/20 0.54
NPC1 O15118 2/20 0.54
TSHR P16473 1/20 0.53
KCNK3 O14649 2/20 0.51
KCNK9 Q9NPC2 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
KLKB1 P03952 1/20 0.51
AHR P35869 1/20 0.51
GFER P55789 1/20 0.51
MEN1 O00255 1/20 0.49
NR1H4 Q96RI1 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL20333383 0.90 MAPT (0.60) MAPTSMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL20347155 0.83 NPC1 (0.50) MAPTSMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL20350478 0.82 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL2060705 0.78 NR1H4 (0.73) MAPTSMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL20347415 0.78 PTPN1 (0.46) MAPTSMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL4428019 0.78 MAPT (0.71) MAPTSMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL28133927 0.78 MAPT (0.70) MAPTSMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL2362772 0.77 KMT2A (0.82) MAPTSMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL22216671 0.77 MEN1 (0.60) MAPTSMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL4347151 0.76 MAPT (0.64) MAPTSMN1; SMN2ALDH1A1RAB9AKMT2A

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 3 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

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

For each of this compound's patents that has machine-readable text (3 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-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 MAPT 4512/4885SMN1; SMN2 3679/4885ALDH1A1 527/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 MAPT 4512/4885SMN1; SMN2 3679/4885ALDH1A1 527/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 MAPT 4512/4885SMN1; SMN2 3679/4885ALDH1A1 527/4885

“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.