SCHEMBL1027647

SCHEMBL1027647

CCOC(=O)C1C(CO)C1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ PPP1CC P36873 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ MGAM O43451 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ SOAT1 P35610 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GLO1 Q04760 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAPT P10636 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
SCHEMBL3954190 1.00 PPM1B (0.44) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL3954185 1.00 PPM1B (0.44) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL6406115 0.85 PPM1B (0.41) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL32677646 0.83 PPM1B (0.46) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL12994228 0.82 ALDH1A1 (0.53) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL19032664 0.76 CYP4F2 (0.43) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL34472423 0.75 CYP2C19 (0.40) PPM1BPTPN1PPP1CCALDH1A1HSD17B10
SCHEMBL19874145 0.75 PPM1B (0.47) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL24318061 0.73 KDM4E (0.51) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL13449461 0.73 PPM1B (0.60) PPM1BPTPN1PPP1CCALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814855-B1 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-19 — — EP disclosed
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES BOEHRINGER MARKUS 2009-10-29 — — US disclosed
US-7501413-B2 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 — — US disclosed
EP-1814855-A2 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-08-08 — — EP disclosed
US-7081481-B2 Excitatory amino acid receptor modulators ELI LILLY AND COMPANY (US) 2006-07-25 — — US disclosed
US-20060106016-A1 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. 2006-05-18 — — US disclosed
WO-2006048152-A2 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-11 — — WO disclosed
EP-1189874-B1 EXCITATORY AMINO ACID RECEPTOR MODULATORS LILLY SA (ES) 2005-01-26 — — EP disclosed
US-20040102521-A1 Excitatory amino acid receptor modulators ELI LILLY AND COMPANY 2004-05-27 — — US disclosed
EP-1289935-A1 EXCITATORY AMINO ACID RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-03-12 — — EP disclosed
US-6504052-B1 2-carboxycyclopropyl glycine derivatives, used as agonists of glutamate receptors for prophylaxis of psychological and nervous system disorders; anxiolytics; antidepressants; drug abuse; anticonvulsant, analgesic and antiemetic agents ELI LILLY AND COMPANY 2003-01-07 — — US disclosed
US-6498180-B1 SUCH AS 2-(3'-HYDROXYMETHYL-2'-CARBOXYCYCLOPROPYL)GLYCINE; MODULATING METABOTROPIC GLUTAMATE RECEPTOR; TREATING DISORDERS OF CENTRAL NERVOUS ELI LILLY AND COMPANY 2002-12-24 — — US disclosed
WO-2001092212-A1 EXCITATORY AMINO ACID RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2001-12-06 — — 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 (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-20060106016-A1 Dicarboxamide derivatives F2, F12, TFPI PPM1B 3729/4885PTPN1 3586/4885PPP1CC 4310/4885
US-20040102521-A1 Excitatory amino acid receptor modulators GRM1, GRM2, GRIN1 PPM1B 2017/4885PTPN1 1155/4885PPP1CC 3447/4885
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES F2, F12, TFPI PPM1B 3729/4885PTPN1 3586/4885PPP1CC 4310/4885

“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.

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