SCHEMBL510091

SCHEMBL510091

CC(=O)c1nccc(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.50
PDE3A Q14432 7/20 0.50
GAA P10253 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
DCTPP1 Q9H773 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
CLK2 P49760 1/20 0.33
CSNK1G1 Q9HCP0 1/20 0.33

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
SCHEMBL8781943 0.81 PDE3B (0.40) PDE3BPDE3AALDH1A1POLBLMNA
SCHEMBL2468442 0.79 PDE3B (0.39) PDE3BPDE3AGPR84ALDH1A1POLB
SCHEMBL10547108 0.76 PDE3B (0.37) PDE3BPDE3AGAAGPR84ALDH1A1
SCHEMBL31685701 0.71 GAA (0.48) PDE3BPDE3AGAAALDH1A1POLB
SCHEMBL25921878 0.71 GAA (0.48) PDE3BPDE3AGAAGPR84ALDH1A1
SCHEMBL10431226 0.71 PDE3B (0.42) PDE3BPDE3AGAAGPR84POLB
SCHEMBL755723 0.69
SCHEMBL22864120 0.67 PDE3B (1.00) PDE3BPDE3A
Hydrochloric Acid SCHEMBL21411990 0.67
SCHEMBL98748 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3112479-B2 2000-11-27 JP claimed
EP-0586393-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1994-03-16 EP claimed
WO-1992018487-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1992-10-29 WO claimed
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 US disclosed
EP-2376488-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-10-19 EP disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 US disclosed
WO-2010067123-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 WO disclosed
WO-2010067123-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 WO disclosed
EP-0586393-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1994-03-16 EP disclosed
WO-1992018487-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1992-10-29 WO disclosed
US-4134981-A ANTIALLERGENS PFIZER INC. (US) 1979-01-16 US disclosed
US-4120962-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1978-10-17 US disclosed
US-4044134-A FUSED WITH QUINOLINE OR PYRIDINE, 2-METHYL, ETHYL, OR ACETYL GROUP PFIZER INC. (US) 1977-08-23 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 (2 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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR PDE3B 1418/4885PDE3A 881/4885GAA 352/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 PDE3B 202/4885PDE3A 119/4885GAA 268/4885

“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.