SCHEMBL2824600

SCHEMBL2824600

CC(C)Sc1ccc(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
CA2 P00918 2/20 0.50
SLC6A9 P48067 1/20 0.48
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
G6PD P11413 1/20 0.39
IDE P14735 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.36
ENPP2 Q13822 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4901604 0.84 CA2 (0.50) LMNACA2SLC6A9ALDH1A1KDM4E
SCHEMBL2825868 0.82 LMNA (0.60) LMNACA2AKR1C3AKR1C2G6PD
SCHEMBL2825252 0.81 LMNA (0.51) LMNACA2AKR1C3AKR1C2G6PD
SCHEMBL2823704 0.78 LMNA (0.55) LMNACA2AKR1C3AKR1C2G6PD
SCHEMBL4448129 0.76 LMNA (0.53) LMNACA2AKR1C3AKR1C2KDM4E
SCHEMBL8962352 0.76 LMNA (0.70) LMNAAKR1C3AKR1C2ALDH1A1KDM4E
SCHEMBL17465966 0.76 LMNA (0.60) LMNAAKR1C3AKR1C2ALDH1A1KDM4E
SCHEMBL4908760 0.75 SLC6A9 (0.66) SLC6A9AKR1C3
SCHEMBL3861678 0.74 ALDH1A1 (0.62) ALDH1A1KMT2A
SCHEMBL2825373 0.74 LMNA (0.50) LMNACA2SLC6A9AKR1C3AKR1C2

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-7790763-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-7790763-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-7790763-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
EP-1838308-B1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
EP-1844045-B1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-04 EP disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
WO-2006079467-A1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS F. HOFMANN-LA ROCHE AG (CH) 2006-08-03 WO disclosed
US-20060167023-A1 Substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-07-27 US disclosed
US-20060167009-A1 Monocyclic substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 US disclosed
WO-2006077026-A1 2, 5-DISUBSTITUTED PHENYL METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-I) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRY DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-27 WO disclosed
US-20060160788-A1 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006072436-A1 [4-(HETEROARYL) PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO disclosed
WO-2006072435-A1 SULFANYL SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO disclosed
US-20060149062-A1 Sulfanyl substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-06 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-20060160788-A1 Substituted phenyl methanone derivatives SLC6A5, SLC6A1, SLC1A1 LMNA 3619/4885CA2 3180/4885SLC6A9 18/4885
US-20060167023-A1 Substituted phenyl methanones SLC6A7, SLC1A1, SLC26A3 LMNA 2647/4885CA2 2621/4885SLC6A9 12/4885
US-20060149062-A1 Sulfanyl substituted phenyl methanones SULT1A1, SULT2A1, SULT1E1 LMNA 4147/4885CA2 2810/4885SLC6A9 19/4885
US-20060167009-A1 Monocyclic substituted phenyl methanones SLC1A2, SULT2A1, SLC6A5 LMNA 3963/4885CA2 2023/4885SLC6A9 23/4885

“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.