SCHEMBL885676

SCHEMBL885676

Cc1ccsc1-c1noc(N)c1C(=O)NC(C)CCCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.37
POLB P06746 2/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
MLYCD O95822 1/20 0.33
RAB9A P51151 3/20 0.33
HPGD P15428 1/20 0.33
HPGDS O60760 1/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL6314609 0.90 TAS1R3 (0.38) ACACBPOLBTAS1R3TAS1R1TAS1R2
SCHEMBL6318000 0.90 ACACB (0.40) ACACBPOLBTAS1R3TAS1R1TAS1R2
SCHEMBL6315256 0.89 ACACB (0.41) ACACBPOLBMLYCDRAB9AHPGDS
SCHEMBL6316220 0.87 TSHR (0.44) ACACBPOLBRAB9AHPGDTSHR
SCHEMBL6321245 0.85 HPGD (0.52) POLBTAS1R3TAS1R1HPGDTSHR
SCHEMBL6323085 0.85 RAB9A (0.40) ACACBPOLBRAB9AHPGDTSHR
SCHEMBL6317729 0.84 HPGD (0.43) ACACBPOLBRAB9AHPGDTSHR
SCHEMBL6316911 0.84 MEN1 (0.45) POLBRAB9AHPGDTSHRLMNA
SCHEMBL6324723 0.83 POLB (0.36) ACACBPOLBTAS1R3TAS1R1TAS1R2
SCHEMBL6322906 0.82 GAA (0.42) POLBTAS1R3TAS1R1TAS1R2RAB9A

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
US-20100197633-A1 N-Alkyl-Heterocyclyl Carboxamide Derivatives BAYER CROPSCIENCE S.A. (FR) 2010-08-05 US claimed
EP-1937637-A1 NEW N-ALKYL-HETEROCYCLYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-07-02 EP claimed
WO-2007039615-A1 NEW N-ALKYL-HETEROCYCLYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-04-12 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-8148538-B2 N-alkyl-heterocyclyl carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2012-04-03 US disclosed
US-20100197633-A1 N-Alkyl-Heterocyclyl Carboxamide Derivatives BAYER CROPSCIENCE S.A. (FR) 2010-08-05 US disclosed
EP-1937637-A1 NEW N-ALKYL-HETEROCYCLYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-07-02 EP disclosed
WO-2007039615-A1 NEW N-ALKYL-HETEROCYCLYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-04-12 WO disclosed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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 (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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 ACACB 1255/4885POLB 872/4885TAS1R3 4289/4885
US-20100197633-A1 N-Alkyl-Heterocyclyl Carboxamide Derivatives CYP1A2, CYP3A7, GANC ACACB 1825/4885POLB 3679/4885TAS1R3 1830/4885

“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.