SCHEMBL2147379

SCHEMBL2147379

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MCL1 Q07820 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL1341696 0.86 ALDH1A1 (0.37) ALDH1A1TSHRMCL1CTSSCTSK
SCHEMBL9836697 0.78 TSHR (0.39) ALDH1A1TSHRCTSSCTSK
SCHEMBL3542104 0.78 ALDH1A1 (0.32) ALDH1A1TSHRMCL1
SCHEMBL9011479 0.75 MCL1 (0.33) ALDH1A1TSHRMCL1
SCHEMBL8164857 0.75 GRM2 (0.32) ALDH1A1TSHRCTSSCTSK
SCHEMBL17499002 0.74
SCHEMBL4734754 0.73 MCL1 (0.34) ALDH1A1TSHRMCL1CTSSCTSK
Water SCHEMBL31084442 0.73 MCL1 (0.34) ALDH1A1TSHRMCL1CTSSCTSK
SCHEMBL3252981 0.73 MCL1 (0.32) ALDH1A1MCL1CTSSCTSK
SCHEMBL10882205 0.72 MEN1 (0.30) ALDH1A1TSHR

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 26 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-20170197939-A1 Tropomyosin-Related Kinase Inhibitors Containing Both A 1H-Pyrazole And A Pyrimidine Moiety PFIZER INC. (US) 2017-07-13 US disclosed
EP-3131891-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS CONTAINING BOTH A 1H-PYRAZOLE AND A PYRIMIDINE MOIETY Pfizer Inc. (US) 2017-02-22 EP disclosed
US-9309190-B2 Process for preparation of dicyanocarboxylate derivatives Gharda Medical and Advanced Technologies Foundation (IN) 2016-04-12 US disclosed
WO-2015159175-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS CONTAINING BOTH A 1H-PYRAZOLE AND A PYRIMIDINE MOIETY PFIZER INC. (US) 2015-10-22 WO 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
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 ALDH1A1 918/4885TSHR 539/4885MCL1 1557/4885
US-20170197939-A1 Tropomyosin-Related Kinase Inhibitors Containing Both A 1H-Pyrazole And A Pyrimidine Moiety TPM3, MUSK, TPM4 ALDH1A1 1226/4885TSHR 818/4885MCL1 1107/4885

“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.