Sugi Predict

Sugi Predict / Compounds / SCHEMBL5999549

SCHEMBL5999549

SCHEMBL5999549

OB(O)C1=CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.39
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ SRD5A1 P18405 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ MIF P14174 3/20 0.33
▸ G6PC1 P35575 1/20 0.33

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
SCHEMBL30933929 1.00 CES1 (0.39) CES1HPGDL3MBTL1MAOBCYP2A6
SCHEMBL24114163 0.89 HPGD (0.42) CES1HPGDL3MBTL1MAOBCYP2A6
SCHEMBL16969052 0.79 HTR6 (0.37) CES1HPGDL3MBTL1MAOBMAOA
SCHEMBL4436441 0.72 CES1 (0.43) CES1HPGDL3MBTL1MAOBCYP2A6
SCHEMBL8371987 0.68 CES1 (0.43) CES1HPGDL3MBTL1MAOBCYP2A6
SCHEMBL6244296 0.68 CES1 (0.43) CES1HPGDL3MBTL1MAOBCYP2A6
SCHEMBL2874924 0.68 CES1 (0.43) CES1HPGDL3MBTL1MAOBCYP2A6
SCHEMBL3630867 0.68 NOS3 (0.45) CES1HPGDL3MBTL1MAOBCYP2A6
SCHEMBL8053792 0.68 CES1 (0.43) CES1HPGDL3MBTL1MAOBCYP2A6
SCHEMBL31375435 0.68 CES1 (0.43) CES1HPGDL3MBTL1MAOBCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220112216-A1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-04-14 — — US disclosed
US-11203601-B2 Tricyclic compounds as glycogen synthase kinase 3 (GSK3) inhibitors and uses thereof THE BROAD INSTITUTE, INC. (US) 2021-12-21 — — US disclosed
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER 2006-03-16 — — US disclosed
US-6951875-B2 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. (US) 2005-10-04 — — US disclosed
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. 2003-07-31 — — 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 (4 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-20220112216-A1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF GSK3A, GSK3B, PYGB CES1 954/4885HPGD 4162/4885L3MBTL1 2548/4885
US-11203601-B2 Tricyclic compounds as glycogen synthase kinase 3 (GSK3) inhibitors and uses thereof GSK3A, GSK3B, PYGB CES1 954/4885HPGD 4162/4885L3MBTL1 2548/4885
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C CES1 3032/4885HPGD 1491/4885L3MBTL1 4643/4885
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN3A, GRIN2C CES1 3705/4885HPGD 1307/4885L3MBTL1 4433/4885

“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.