SCHEMBL6560426

SCHEMBL6560426

O=C(NC(Cl)C(F)(F)F)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
GSK3B P49841 2/20 0.49
TRPV1 Q8NER1 2/20 0.46
PTGS1 P23219 2/20 0.46
UTS2R Q9UKP6 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SRD5A2 P31213 1/20 0.46
TLR7 Q9NYK1 1/20 0.45
RORC P51449 1/20 0.45
PTPN1 P18031 2/20 0.45
MLYCD O95822 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL4679737 0.86 HTT (0.53) UTS2RRAB9AMLYCDLMNA
SCHEMBL4682046 0.84 SMN1; SMN2 (0.64) NPC1RAB9AMLYCDLMNA
SCHEMBL6559629 0.84 CA12 (0.53) CES2CES1MLYCDLMNA
SCHEMBL6559620 0.80 CES2 (0.56) CES2CES1GSK3BTRPV1PTGS1
SCHEMBL12251427 0.78 MLYCD (0.71) CES2CES1GSK3BTRPV1PTGS1
SCHEMBL5856471 0.76 CES2 (0.53) CES2CES1GSK3BTRPV1PTGS1
SCHEMBL27244131 0.76 MEN1 (0.54) CES2CES1GSK3BPTGS1NPC1
SCHEMBL6559614 0.75 GRN (0.49) RAB9A
SCHEMBL20963126 0.75 MLYCD (0.53) CES2CES1GSK3BTRPV1PTGS1
SCHEMBL13753437 0.75 MLYCD (0.53) CES2CES1GSK3BTRPV1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1035113-B1 Process for the preparation of 2-aryl-5-(perfluoroalkyl)pyrrole compounds from N-[1-chloro-1-(perfluoroalkyl)methyl]arylimidoyl chloride compounds BASF AG (DE) 2004-10-06 EP claimed
US-6596902-B2 Useful for insecticides and the control of acarid pests; chemical intermediates in the preparation of arylpyrrole compounds such as chlorfenapyr BASF AKTIENGESELLSCHAFT (DE) 2003-07-22 US claimed
US-20020049338-A1 Process for the preparation of 2-aryl-5- (perfluoro-alkyl) pyrrole compounds from N-[1-chloro-1-(perfluoroalkyl) methyl] arylimidoyl chloride compounds AMERICAN CYANAMID COMPANY 2002-04-25 US claimed
CN-1267667-A Process for producing 2-aryl-5-(perfluoroalkyl) pyrrole compound from N-[1-chlorine-1-(perfluoroalkyl) quadri group] imido aryl chlorine compound AMERICAN CYANAMID CO (US) 2000-09-27 CN claimed
EP-1035113-A2 Process for the preparation of 2-aryl-5-(perfluoroalkyl)pyrrole compounds from N-[1-chloro-1-(perfluoroalkyl)methyl]arylimidoyl chloride compounds American Cyanamid Company (US) 2000-09-13 EP claimed
EP-1035113-B1 Process for the preparation of 2-aryl-5-(perfluoroalkyl)pyrrole compounds from N-[1-chloro-1-(perfluoroalkyl)methyl]arylimidoyl chloride compounds BASF AG (DE) 2004-10-06 EP disclosed
US-6596902-B2 Useful for insecticides and the control of acarid pests; chemical intermediates in the preparation of arylpyrrole compounds such as chlorfenapyr BASF AKTIENGESELLSCHAFT (DE) 2003-07-22 US disclosed
US-20020049338-A1 Process for the preparation of 2-aryl-5- (perfluoro-alkyl) pyrrole compounds from N-[1-chloro-1-(perfluoroalkyl) methyl] arylimidoyl chloride compounds AMERICAN CYANAMID COMPANY 2002-04-25 US disclosed
US-6320059-B1 REACTING N-(1-CHLORO-1-(PERFLUOROALKYL)METHYL)ARYLIMIDOYL CHLORIDE COMPOUND WITH DIENEOPHILE COMPOUND OR SUBSTITUTED HALOETHANE COMPOUND, AND BASE, IN PRESENCE OF SOLVENT AMERICAN CYANAMID COMPANY 2001-11-20 US disclosed
CN-1267667-A Process for producing 2-aryl-5-(perfluoroalkyl) pyrrole compound from N-[1-chlorine-1-(perfluoroalkyl) quadri group] imido aryl chlorine compound AMERICAN CYANAMID CO (US) 2000-09-27 CN disclosed
EP-1035113-A2 Process for the preparation of 2-aryl-5-(perfluoroalkyl)pyrrole compounds from N-[1-chloro-1-(perfluoroalkyl)methyl]arylimidoyl chloride compounds American Cyanamid Company (US) 2000-09-13 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 (1 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-20020049338-A1 Process for the preparation of 2-aryl-5- (perfluoro-alkyl) pyrrole compounds from N-[1-chloro-1-(perfluoroalkyl) methyl] arylimidoyl chloride compounds AFF1, AFF4, AFF2 CES2 1796/4885CES1 729/4885GSK3B 4884/4885

“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.