Sugi Predict

Sugi Predict / Compounds / SCHEMBL728409

SCHEMBL728409

SCHEMBL728409

O=C(C[C@H](O)C(=O)O)c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.66
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ ERCC5 P28715 1/20 0.58
▸ FEN1 P39748 1/20 0.58
▸ PARP1 P09874 1/20 0.50
▸ KCNK3 O14649 1/20 0.47
▸ KCNK9 Q9NPC2 1/20 0.47
▸ TSHR P16473 1/20 0.46

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
SCHEMBL3675550 1.00 KMO (0.66) KMOMEN1KMT2AERCC5FEN1
SCHEMBL7406071 1.00 KMO (0.66) KMOMEN1KMT2AERCC5FEN1
SCHEMBL6434006 0.84 KMO (0.71) KMOMEN1KMT2A
SCHEMBL14889088 0.84 KMO (0.62) KMOMEN1KMT2A
SCHEMBL7799514 0.83 KMO (0.65) KMOMEN1KMT2AERCC5FEN1
SCHEMBL7791502 0.83 KMO (0.65) KMOMEN1KMT2AERCC5FEN1
SCHEMBL7799511 0.83 KMO (0.65) KMOMEN1KMT2AERCC5FEN1
SCHEMBL7400231 0.83 MEN1 (0.56) KMOMEN1KMT2AERCC5FEN1
SCHEMBL19984703 0.83 ERCC5 (0.54) KMOMEN1KMT2AERCC5FEN1
SCHEMBL19984713 0.83 ERCC5 (0.54) KMOMEN1KMT2AERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4813800-B2 — — 2011-11-09 — — JP claimed
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2006-06-29 — — US claimed
US-7727977-B2 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-01 — — US disclosed
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2006-06-29 — — US disclosed
US-20060052456-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes by increasing the number of islets of langerhans cells MERCK PATENT GMBH (DE) 2006-03-09 — — US disclosed
US-6323240-B1 HALOGENATED DERIVATIVES AS ENZYME INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 2001-11-27 — — US disclosed
EP-0858443-A1 4-PHENYL-4-OXO-BUTANOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1998-08-19 — — EP disclosed
WO-1997017317-A1 4-PHENYL-4-OXO-BUTANOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-15 — — 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 (2 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-20060052456-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes by increasing the number of islets of langerhans cells KYNU, KMO, IDO1 KMO 2/4885MEN1 2965/4885KMT2A 270/4885
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes KYNU, KMO, AADAT KMO 2/4885MEN1 3066/4885KMT2A 612/4885

“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.