SCHEMBL16105643

SCHEMBL16105643

COc1ccc(C(F)(F)F)c(B(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
EPHX2 P34913 3/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
PGR P06401 2/20 0.41
AR P10275 2/20 0.41
LIPE Q05469 1/20 0.39
CYP26A1 O43174 1/20 0.39
CYP24A1 Q07973 1/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AKR1C4 P17516 1/20 0.38

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
SCHEMBL29653552 0.85 EPHX2 (0.44) ENPP2CA1CA2EPHX2CYP11B1
SCHEMBL41862 0.85 EPHX2 (0.44) ENPP2CA1CA2EPHX2CYP11B1
SCHEMBL3316135 0.83 CA1 (0.47) ENPP2CA1CA2LMNAGAA
SCHEMBL4628852 0.78 EPHX2 (0.46) CA1CA2EPHX2CYP11B1CYP11B2
SCHEMBL10656799 0.77 ALDH1A1 (0.49) CA1CA2EPHX2CYP11B1CYP11B2
SCHEMBL29427761 0.77 ALDH1A1 (0.49) CA1CA2EPHX2CYP11B1CYP11B2
SCHEMBL12261025 0.76 L3MBTL1 (0.48) ENPP2PGRARMAPTSMN1; SMN2
SCHEMBL263475 0.75 TUBB4A (0.43) ENPP2CA1CA2MAPTNPSR1
SCHEMBL16384318 0.75 SMN1; SMN2 (0.39) CA2CYP11B1CYP11B2ARLIPE
SCHEMBL21446957 0.75 CYP11B1 (0.44) CA1CA2EPHX2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111148744-B Novel heterocyclic compounds as MGLUR7 modulators 布拉格玛治疗公司 2025-02-14 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2784065-B1 GLYCINE REUPTAKE INHIBITOR AND USE THEREOF BEIJING MEDISAN TECHNOLOGY CO LTD (CN) 2016-10-05 EP disclosed
US-9242938-B2 Glycine reuptake inhibitor and use thereof BEIJING MEDISAN TECHNOLOGY CO., LTD (CN) 2016-01-26 US disclosed
US-9242938-B2 Glycine reuptake inhibitor and use thereof BEIJING MEDISAN TECHNOLOGY CO., LTD (CN) 2016-01-26 US disclosed
US-9242938-B2 Glycine reuptake inhibitor and use thereof BEIJING MEDISAN TECHNOLOGY CO., LTD (CN) 2016-01-26 US disclosed
US-20150133497-A1 GLYCINE REUPTAKE INHIBITOR AND USE THEREOF BEIJING MEDISAN TECHNOLOGY CO., LTD. (CN) 2015-05-14 US disclosed
US-20150133497-A1 GLYCINE REUPTAKE INHIBITOR AND USE THEREOF BEIJING MEDISAN TECHNOLOGY CO., LTD. (CN) 2015-05-14 US disclosed
US-20150133497-A1 GLYCINE REUPTAKE INHIBITOR AND USE THEREOF BEIJING MEDISAN TECHNOLOGY CO., LTD. (CN) 2015-05-14 US disclosed
EP-2784065-A1 GLYCINE REUPTAKE INHIBITOR AND USE THEREOF Beijing Medisan Technology Co. Ltd. (CN) 2014-10-01 EP 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 (1 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-20150133497-A1 GLYCINE REUPTAKE INHIBITOR AND USE THEREOF SLC6A2, SLC6A5, SLC6A4 ENPP2 2907/4885CA1 1688/4885CA2 1104/4885

“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.