SCHEMBL5885020

SCHEMBL5885020

O=C(O)C(=S)Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
TAS2R38 P59533 3/20 0.58
HSD17B10 Q99714 3/20 0.58
EPHX1 P07099 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 2/20 0.58
TSHR P16473 2/20 0.58
EPHX2 P34913 1/20 0.58
CDK9 P50750 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
CYP3A4 P08684 1/20 0.58
GAA P10253 6/20 0.55
LMNA P02545 2/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NOX1 Q9Y5S8 1/20 0.54
TYR P14679 1/20 0.54
NAPRT Q6XQN6 1/20 0.54

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
SCHEMBL3070807 0.85 ALDH1A1 (0.70) ALDH1A1TAS2R38HSD17B10EPHX1SMN1; SMN2
SCHEMBL3070810 0.84 ALDH1A1 (0.56) ALDH1A1TAS2R38HSD17B10EPHX1SMN1; SMN2
SCHEMBL3073451 0.82 ALDH1A1 (0.61) ALDH1A1TAS2R38HSD17B10EPHX1SMN1; SMN2
SCHEMBL19357168 0.80 EPHX1 (0.56) ALDH1A1TAS2R38HSD17B10EPHX1SMN1; SMN2
SCHEMBL3609840 0.80 ALDH1A1 (0.64) ALDH1A1TAS2R38HSD17B10EPHX1SMN1; SMN2
SCHEMBL3073447 0.78 ALDH1A1 (0.70) ALDH1A1TAS2R38HSD17B10EPHX1SMN1; SMN2
SCHEMBL3271863 0.75 EPHX2 (0.64) ALDH1A1TAS2R38HSD17B10EPHX1SMN1; SMN2
SCHEMBL3426515 0.75 TP53 (0.64) ALDH1A1TAS2R38HSD17B10EPHX1SMN1; SMN2
SCHEMBL3271860 0.75 EPHX2 (0.64) ALDH1A1TAS2R38HSD17B10EPHX1SMN1; SMN2
SCHEMBL616739 0.75 PTPN11 (0.75) HSD17B10EPHX1SMN1; SMN2TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6998401-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof SUNTORY LIMITED (JP) 2006-02-14 US disclosed
EP-1165509-B1 METHOD OF PRODUCING 3,4-DIHYDROPROLINES AND 3,4-DEHYDROPIPERIDINES ABBOTT GMBH & CO KG (DE) 2004-10-06 EP disclosed
EP-1045693-B1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-06-30 EP disclosed
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2004-04-01 US disclosed
US-6579971-B1 Derivatives by reacting with a strong base and compound of given formula; hydrolysis; useful intermediates for the synthesis of dyes, pesticides or drugs (thrombin inhibitors) BASF AKTIENGESELLSCHAFT (DE) 2003-06-17 US disclosed
US-6559146-B1 Neuroprotective effects by inducing calbindin D28Kd, one of Ca2+-binding proteins SUNTORY LIMITED (JP) 2003-05-06 US disclosed
EP-1165509-A1 METHOD OF PRODUCING 3,4-DIHYDROPROLINES AND 3,4-DEHYDROPIPERIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
EP-1045693-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-10-25 EP disclosed
WO-2000058284-A1 METHOD OF PRODUCING 3,4-DIHYDROPROLINES AND 3,4-DEHYDROPIPERIDINES BASF AKTIENGESELLSCHAFT (DE) 2000-10-05 WO disclosed
US-6117840-A INHIBITS BINDING BETWEEN VLA-4 RECEPTOR EXPRESSED ON INFLAMMATORY LEUKOCYTES AND FIBRONECTIN CS-1 PEPTIDE EXPRESSED ON ENDOTHELIAL CELLS THAT ARE INVOLVED IN IMMUNOINFLAMMATORY DISEASE STATES CYTEL CORPORATION (US) 2000-09-12 US disclosed
US-5936065-A PRODRUG AS ANTIINFLAMMATORY AGENT FOR AUTOIMMUNE DISEASES; FOR SUPPRESSING BINDING OF INFLAMMATORY CELLS TO ENDOTHELIAL CELLS THAT EXPRESS THE CS-1 PORTION OF FIBRONECTIN ON THEIR SURFACES CYTEL CORPORATION (US) 1999-08-10 US disclosed
EP-0737204-A4 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORP (US) 1999-06-23 EP disclosed
US-5844078-A Phenyl peptides, method for preparing same, and pharmaceutical compositions containing said peptides LABORATORIE LAPHAL (FR) 1998-12-01 US disclosed
US-5821231-A TREATMENT OF IMMUNOINFLAMMATORY CONDITIONS CYTEL CORPORATION (US) 1998-10-13 US disclosed
US-5770573-A CS-1 peptidomimetics, compositions and methods of using the same CYTEL CORPORATION (US) 1998-06-23 US disclosed
US-5688913-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS CYTEL CORPORATION (US) 1997-11-18 US disclosed
EP-0787143-A2 PHENYL PEPTIDES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID PEPTIDES LABORATOIRE LAPHAL (FR) 1997-08-06 EP disclosed
WO-1997001576-A2 PHENYL PEPTIDES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID PEPTIDES LABORATOIRE LAPHAL (FR) 1997-01-16 WO disclosed
EP-0737204-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1996-10-16 EP disclosed
WO-1995015973-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1995-06-15 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-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A ALDH1A1 1079/4885TAS2R38 2039/4885HSD17B10 2808/4885

“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.