SCHEMBL2825786

SCHEMBL2825786

CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
HSD17B10 Q99714 4/20 0.62
KDM4E B2RXH2 3/20 0.62
HPGD P15428 2/20 0.62
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
POLB P06746 4/20 0.61
GAA P10253 2/20 0.57
TSHR P16473 1/20 0.56
PTPN5 P54829 1/20 0.52
CSNK2A1 P68400 1/20 0.50
CASP6 P55212 1/20 0.49
PTGS2 P35354 2/20 0.49
CYP2C9 P11712 1/20 0.49
PTGS1 P23219 1/20 0.49
PHLPP2 Q6ZVD8 1/20 0.49
KLKB1 P03952 1/20 0.49
CTSB P07858 1/20 0.49
MMP9 P14780 1/20 0.49
DNMT1 P26358 1/20 0.49

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
SCHEMBL8563778 0.86 LMNA (0.50) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL1520426 0.85 KDM4E (0.58) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL15880673 0.84 ALDH1A1 (0.64) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL4908605 0.84 PHLPP2 (0.70) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL4908604 0.84 PHLPP2 (0.70) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL2828647 0.83 MEN1 (0.58) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL2836625 0.83 ALDH1A1 (0.62) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL19119211 0.83 POLB (0.59) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL13614102 0.82 MEN1 (0.57) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL28650672 0.82 CA2 (0.49) ALDH1A1HSD17B10KDM4EHPGDMEN1

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 40 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
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 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-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
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed
US-4935511-A Nervous system, gastrointestinal disorders RORER PHARMACEUTICAL CORPORATION (US) 1990-06-19 US disclosed
US-4350692-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-09-21 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 (3 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 ALDH1A1 1436/4885HSD17B10 2913/4885KDM4E 2701/4885
US-20060160788-A1 Substituted phenyl methanone derivatives SLC6A5, SLC6A1, SLC1A1 ALDH1A1 734/4885HSD17B10 398/4885KDM4E 3640/4885
US-20060167009-A1 Monocyclic substituted phenyl methanones SLC1A2, SULT2A1, SLC6A5 ALDH1A1 744/4885HSD17B10 548/4885KDM4E 3122/4885

“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.