SCHEMBL1884435

SCHEMBL1884435

O=C(OC1CCCCC1)c1csc(C2CCN(C(=O)O)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.38
HRH3 Q9Y5N1 2/20 0.37
HSD11B1 P28845 2/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
SMO Q99835 1/20 0.36
PPARG P37231 1/20 0.35
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 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
SCHEMBL12074811 0.87 PIM1 (0.39) FAAHHRH3PIM1PIM3PIM2
SCHEMBL1120132 0.85 GPR119 (0.47)
SCHEMBL1120131 0.82 HRH3 (0.33) HRH3HSD11B1PIM1PIM3PIM2
SCHEMBL13616248 0.81 PLAT (0.40) PIM1PIM3PIM2
SCHEMBL2952296 0.81 CASP8 (0.42) FAAH
Hydrochloric Acid SCHEMBL1120118 0.81 PLAT (0.39) PIM1PIM3PIM2
SCHEMBL1045160 0.80 HTR2C (0.44) FAAHHRH3TRPC3TRPC6
SCHEMBL1884146 0.80 CASP3 (0.48) FAAHPPARG
SCHEMBL15313014 0.79 PIM1 (0.37) FAAHPIM1PIM3PIM2SMO
SCHEMBL1120023 0.78 ALDH1A1 (0.34) FAAHPIM1PIM3PIM2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-27 US disclosed
US-9029549-B2 Thiazol-4-carboxylic acid esters and thioesters as plant protection agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-12 US disclosed
US-20140031553-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-8569509-B2 Thiazole-4-carboxylic acid esters and thioesters as plant protection agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-29 US disclosed
US-8501781-B2 Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG (DE) 2013-08-06 US disclosed
CN-102712634-A Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG 2012-10-03 CN disclosed
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives BAYER CROPSCIENCE AG (DE) 2011-12-15 US disclosed
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents BAYER CROPSCIENCE AG (DE) 2011-05-05 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-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives CAT, DPM1, ERG28 FAAH 4031/4885HRH3 1758/4885HSD11B1 3100/4885
US-20140031553-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 FAAH 585/4885HRH3 1173/4885HSD11B1 870/4885
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents ACOT7, LYPLA1, PPT1 FAAH 504/4885HRH3 1147/4885HSD11B1 1026/4885
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 FAAH 585/4885HRH3 1173/4885HSD11B1 870/4885

“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.