SCHEMBL7215558

SCHEMBL7215558

[CH2]C(C)SCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
SLC6A4 P31645 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
SLC6A2 P23975 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL10976269 0.81 IDO1 (0.41) PPARGPPARAPOLBCTSLCTSB
SCHEMBL10899765 0.81 L3MBTL1 (0.47) PPARGPPARASLC6A4L3MBTL1ATM
SCHEMBL560907 0.81 PPARG (0.45) PPARGPPARASLC6A4L3MBTL1ATM
SCHEMBL24013069 0.77 IDO1 (0.43) PPARGPPARASLC6A4L3MBTL1ATM
SCHEMBL27690898 0.77 PPARG (0.42) PPARGPPARASLC6A4L3MBTL1ATM
SCHEMBL1467047 0.77 SLC6A2 (0.52) PPARGPPARASLC6A4POLBTAAR1
SCHEMBL4850434 0.77 PPARG (0.42) PPARGPPARASLC6A4L3MBTL1ATM
SCHEMBL27690816 0.77 IDO1 (0.39) PPARGPPARAL3MBTL1ATMPOLB
SCHEMBL10585977 0.77 NPSR1 (0.47) PPARGPPARASLC6A4L3MBTL1ATM
SCHEMBL28152974 0.77 ALDH1A1 (0.40) PPARGPPARASLC6A4L3MBTL1ATM

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
CN-1168709-C Alpha-hydroxy, amino and -fluoro derivatives of beta-sulphenyl hydroxamic acids matrix metalloproteinases inhibitors ����Լ��ҩ�﹫˾ 2004-09-29 CN disclosed
US-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY 2003-09-04 US disclosed
EP-1037868-B1 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2003-02-05 EP disclosed
US-6437177-B1 DISEASES INVOLVING CONNECTIVE TISSUE DEGRADATION; ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, DERMAL, OR GASTRIC ULCERATION, AND ASTHMA; 2-HYDROXY-2-(PHENYLTHIO) METHYL-3-(4-BUTOXYBENZENESULFONYL)PROPIONIC ACID PHARMACIA & UPJOHN COMPANY 2002-08-20 US disclosed
CN-1278247-A Alpha-hydroxy, -amino and halo derivatives of beta-sulfonyl hydroxamic acids as matrix metalloproteinase inhibitors PHARMACIA & UPJHN CO (US) 2000-12-27 CN disclosed
EP-1037868-A2 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-09-27 EP disclosed
WO-1999026909-A2 ALPHA-HYDROXY, -AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-06-03 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 (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-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS MMP1, MMP8, HRH3 PPARG 4454/4885PPARA 4684/4885SLC6A4 1060/4885

“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.