SCHEMBL2596611

SCHEMBL2596611

O=C(O[C@@H](C(=O)O)[C@@H](O)C(=O)O)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.78
TP53 P04637 1/20 0.78
CYP2D6 P10635 1/20 0.54
RECQL P46063 1/20 0.51
LMNA P02545 2/20 0.48
F2 P00734 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRKCA P17252 1/20 0.42
SLC6A3 Q01959 3/20 0.41
SLC6A4 P31645 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SRC P12931 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
SCHEMBL341403 1.00 TSHR (0.78) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL2331470 1.00 TSHR (0.78) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL23266974 1.00 TSHR (0.78) TSHRTP53CYP2D6RECQLLMNA
Water SCHEMBL10705613 0.98 TSHR (0.75) TSHRTP53CYP2D6RECQLLMNA
Cadaverine Tartrate SCHEMBL16541102 0.92 TSHR (0.85) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL4190179 0.92 TSHR (0.71) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL3709855 0.92 TSHR (0.71) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL670257 0.88 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL11886503 0.88 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL223030 0.88 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012131710-A2 NOVEL PROCESS FOR THE SYNTHESIS OF INDOLINE DERIVATIVES PANACEA BIOTEC LTD (IN) 2012-10-04 WO claimed
WO-2011158257-A1 PREPARATION PROCESS OF FESOTERODINE AND INTERMEDIATES PANACEA BIOTEC LTD (IN) 2011-12-22 WO claimed
EP-1341762-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES OF PIPERIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-09-10 EP claimed
WO-2002068391-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES OF PIPERIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-09-06 WO claimed
US-11767317-B1 Methods of synthesizing enantiopure deuterium-enriched pioglitazone POXEL SA (FR) 2023-09-26 US disclosed
US-20220144774-A1 PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME YUHAN CORPORATION (KR) 2022-05-12 US disclosed
US-11319313-B2 Crystalline forms of deuterium-enriched pioglitazone POXEL SA (FR) 2022-05-03 US disclosed
US-20210403464-A1 CRYSTALLINE FORMS OF DEUTERIUM-ENRICHED PIOGLITAZONE POXEL SA (FR) 2021-12-30 US disclosed
EP-2574188-A1 NEW PROCESS FOR THE PREPARATION OF ARYL SUBSTITUTED OLEFINIC AMINES Targacept, Inc. (US) 2013-04-03 EP disclosed
CN-102725272-A Synthesis of substituted pyrazoline carboxamidine derivatives ABBOTT HEALTHCARE PRODUCTS BV 2012-10-10 CN disclosed
WO-2012131710-A2 NOVEL PROCESS FOR THE SYNTHESIS OF INDOLINE DERIVATIVES PANACEA BIOTEC LTD (IN) 2012-10-04 WO disclosed
WO-2012098461-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
EP-0729648-A4 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LTD (AU) 1997-01-02 EP disclosed
WO-1996031478-A1 TRICYCLIC COMPOUNDS USEFUL FOR INHIBITION OF G-PROTEIN FUNCTION AND FOR TREATMENT OF PROLIFERATIVE DISEASES SCHERING CORPORATION (US) 1996-10-10 WO disclosed
US-5554620-A Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof STERLING WINTHROP INC. (US) 1996-09-10 US disclosed
EP-0729648-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-09-04 EP disclosed
WO-1995032178-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1995-11-30 WO disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 EP disclosed
WO-1995012219-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1995-05-04 WO disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 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-20220144774-A1 PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME JAK3, JAK1, JAK2 TSHR 1383/4885TP53 1194/4885CYP2D6 1902/4885
US-11767317-B1 Methods of synthesizing enantiopure deuterium-enriched pioglitazone PPARD, GLP1R, DPP4 TSHR 695/4885TP53 1933/4885CYP2D6 42/4885
US-20210403464-A1 CRYSTALLINE FORMS OF DEUTERIUM-ENRICHED PIOGLITAZONE PPARD, PPARA, PPARG TSHR 570/4885TP53 976/4885CYP2D6 406/4885
US-11319313-B2 Crystalline forms of deuterium-enriched pioglitazone PPARD, PPARA, PPARG TSHR 570/4885TP53 976/4885CYP2D6 406/4885

“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.