SCHEMBL726890

SCHEMBL726890

O=C(O)C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.48
TSHR P16473 1/20 0.47
GPR139 Q6DWJ6 1/20 0.46
HSD11B1 P28845 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3670804 1.00 KMO (0.48) KMOTSHRGPR139HSD11B1LMNA
SCHEMBL728166 1.00 KMO (0.48) KMOTSHRGPR139HSD11B1LMNA
SCHEMBL11521484 0.85 KMO (0.56) KMOTSHRHSD11B1LMNAHSD17B10
SCHEMBL30466138 0.83 NTSR1 (0.58) TSHRLMNAHSD17B10
SCHEMBL8859212 0.80 L3MBTL1 (0.55) LMNAHSD17B10
SCHEMBL10833647 0.80 L3MBTL1 (0.55) LMNAHSD17B10
SCHEMBL3676911 0.80 TSHR (0.52) KMOTSHR
SCHEMBL3676913 0.80 TSHR (0.52) KMOTSHR
SCHEMBL728108 0.80 TSHR (0.52) KMOTSHR
SCHEMBL10778650 0.79 KMO (0.63) KMOTSHR

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 2/4885TSHR 2567/4885GPR139 2785/4885
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes KYNU, KMO, AADAT KMO 2/4885TSHR 2294/4885GPR139 2372/4885

“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.