SCHEMBL2147382

SCHEMBL2147382

CCC(C#N)C(C#N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL28702125 0.77 SLC1A2 (0.31) SLC1A3SLC1A2SLC1A1
SCHEMBL3810813 0.77 TDP1 (0.39) TDP1
SCHEMBL25660318 0.76 SLC1A2 (0.41) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL28654671 0.74 ALDH1A1 (0.33) TDP1SLC1A3SLC1A2SLC1A1
SCHEMBL3367991 0.74 OR51E2 (0.31)
SCHEMBL5682222 0.72 GRIK1 (0.33)
SCHEMBL3400402 0.72 SLC1A2 (0.35) SLC1A3SLC1A2SLC1A1
SCHEMBL7108725 0.72
SCHEMBL11401855 0.71 FOLH1 (0.38) SLC1A3SLC1A2SLC1A1
SCHEMBL10582999 0.71 TSHR (0.38)

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
EP-2542531-B1 PROCESS FOR SYNTHESIS OF FIPRONIL GHARDA KEKI HORMUSJI (IN) 2014-09-17 EP claimed
US-8507693-B2 Process for synthesis of fipronil Gharda Medical and Advanced Technologies Foundation (IN) 2013-08-13 US claimed
US-20130030190-A1 PROCESS FOR SYNTHESIS FIPRONIL Gharda Medical and Advanced Technologies Foundation (IN) 2013-01-31 US claimed
EP-2542531-A1 PROCESS FOR SYNTHESIS OF FIPRONIL Gharda, Keki Hormusji (IN) 2013-01-09 EP claimed
CN-102781920-A Process for synthesizing fipronil HORMUSJI GHARDA KEKI 2012-11-14 CN claimed
WO-2011107998-A1 PROCESS FOR SYNTHESIS OF FIPRONIL GHARDA KEKI HORMUSJI (IN) 2011-09-09 WO claimed
EP-2702039-B1 A PROCESS FOR PREPARATION OF DICYANOCARBOXYLATE DERIVATIVES GHARDA KEKI HORMUSJI (IN) 2017-12-20 EP disclosed
US-9309190-B2 Process for preparation of dicyanocarboxylate derivatives Gharda Medical and Advanced Technologies Foundation (IN) 2016-04-12 US disclosed
CN-102781920-B Process for synthesizing fipronil KEKI HORMUSJI GHARDA 2015-05-20 CN disclosed
EP-2542531-B1 PROCESS FOR SYNTHESIS OF FIPRONIL GHARDA KEKI HORMUSJI (IN) 2014-09-17 EP disclosed
EP-2702039-A1 A PROCESS FOR PREPARATION OF DICYANOCARBOXYLATE DERIVATIVES Gharda, Keki Hormusji (IN) 2014-03-05 EP disclosed
US-20140051881-A1 PROCESS FOR PREPARATION OF DICYANOCARBOXYLATE DERIVATIVES Gharda Medical and Advanced Technologies Foundation (IN) 2014-02-20 US disclosed
US-8507693-B2 Process for synthesis of fipronil Gharda Medical and Advanced Technologies Foundation (IN) 2013-08-13 US disclosed
WO-2012147093-A1 A PROCESS FOR PREPARATION OF DICYANOCARBOXYLATE DERIVATIVES GHARDA KEKI HORMUSJI (IN) 2012-11-01 WO disclosed
WO-2011107998-A1 PROCESS FOR SYNTHESIS OF FIPRONIL GHARDA KEKI HORMUSJI (IN) 2011-09-09 WO disclosed
WO-2011086570-A1 PROCESS FOR PREPARATION OF CYANOALKYLPROPIONATE DERIVATIVES GHARDA KEKI HORMUSJI (IN) 2011-07-21 WO disclosed
EP-1773759-A1 PROCESS FOR PREPARING SYNTHETIC INTERMEDIATES USEFUL IN PREPARING PYRAZOLE COMPOUNDS Pfizer Limited (GB) 2007-04-18 EP disclosed
CN-1785966-A Technology of synthesizing 2,3-dicyano ethyl propionate LUAN ZHONGYUE (CN) 2006-06-14 CN disclosed
WO-2006003501-A1 PROCESS FOR PREPARING SYNTHETIC INTERMEDIATES USEFUL IN PREPARING PYRAZOLE COMPOUNDS PFIZER LIMITED (GB) 2006-01-12 WO disclosed
EP-0295117-B1 Derivative of a N-phenylpyrazole RHONE POULENC AGRICULTURE (GB) 2000-04-05 EP 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-20130030190-A1 PROCESS FOR SYNTHESIS FIPRONIL FIP1L1, CYP2F1, PFAS CA2 2859/4885MAPK1 2135/4885CHRM1 4097/4885
US-20140051881-A1 PROCESS FOR PREPARATION OF DICYANOCARBOXYLATE DERIVATIVES CA2, PCCA, C9 CA2 1/4885MAPK1 654/4885CHRM1 3398/4885

“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.