SCHEMBL3670103

SCHEMBL3670103

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.71
TSHR P16473 1/20 0.53
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HSD11B1 P28845 1/20 0.49
SRD5A2 P31213 1/20 0.47
GRN P28799 1/20 0.46
SORT1 Q99523 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
SCHEMBL3676715 1.00 KMO (0.71) KMOTSHRSLC6A4SLC6A3HSD11B1
SCHEMBL3670105 1.00 KMO (0.71) KMOTSHRSLC6A4SLC6A3HSD11B1
SCHEMBL19642672 0.86 KMO (0.75) KMOTSHRSLC6A4SLC6A3HSD11B1
SCHEMBL4386002 0.83 KMO (1.00) KMOTSHRSLC6A4SLC6A3
SCHEMBL728113 0.83 KMO (1.00) KMOTSHRSLC6A4SLC6A3
SCHEMBL3670421 0.83 KMO (1.00) KMOTSHRSLC6A4SLC6A3
SCHEMBL7797590 0.81 KMO (1.00) KMOTSHRSLC6A4SLC6A3
SCHEMBL7399077 0.81 KMO (0.69) KMOTSHRSLC6A4SLC6A3HSD11B1
SCHEMBL7797593 0.81 KMO (1.00) KMOTSHRSLC6A4SLC6A3
SCHEMBL3671146 0.81 KMO (0.69) KMOTSHRSLC6A4SLC6A3GRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2567/4885SLC6A4 1436/4885
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes KYNU, KMO, AADAT KMO 2/4885TSHR 2294/4885SLC6A4 349/4885

“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.