SCHEMBL70872

SCHEMBL70872

Cn1cc(C(=O)O)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 4/20 0.41
ASPH Q12797 1/20 0.41
NOTUM Q6P988 4/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
FABP4 P15090 1/20 0.36
DHODH Q02127 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CLCN2 P51788 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4031020 0.86 TAS2R14 (0.36) TAS2R14ASPHNOTUMAKR1C3AKR1C2
SCHEMBL20876173 0.82 HTT (0.47) KDM4EHTT
SCHEMBL3554532 0.82 HTT (0.33) HTT
SCHEMBL5969078 0.82 HTT (0.33) NOTUMALDH1A1HTT
SCHEMBL4659254 0.82 SCN9A (0.37) KDM4EHTT
SCHEMBL13020348 0.81 HTT (0.36) KDM4EALDH1A1HTT
SCHEMBL3554534 0.80
SCHEMBL27575241 0.80 KMT2A (0.36) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13064205 0.79 PDK2 (0.33) KDM4EALDH1A1HTT
SCHEMBL20885320 0.79 BRD4 (0.41) KDM4EALDH1A1HTT

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 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360176-B1 PYRROLECARBOXAMIDES FOR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-11-02 EP claimed
EP-1341757-B1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2006-09-20 EP claimed
US-7105565-B2 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. (US) 2006-09-12 US claimed
CN-1245384-C Carboxamides as fungicides in agriculture SYNGENTA PARTICIPATIONS AG (CH) 2006-03-15 CN claimed
CN-1223584-C Pyrrolecarboxamides for use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2005-10-19 CN claimed
CN-1221532-C Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA PARTICIPATIONS AG (CH) 2005-10-05 CN claimed
US-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. 2005-06-02 US claimed
US-20040171490-A1 Trifluoromethylpyrrolecarboxamides and Trifluoromethylpyrrolethioamides as fungicides WALTER HARALD (CH) 2004-09-02 US claimed
US-20040138265-A1 Carboxamides as fungicides in agriculture SYNGENTA CROP PROTECTION, INC. 2004-07-15 US claimed
CN-1498208-A Carboxamides as fungicides in agriculture �ӳɹ� 2004-05-19 CN claimed
CN-1484637-A Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses �ӳɹ� 2004-03-24 CN claimed
EP-1360176-A1 PYRROLECARBOXAMIDES FOR USE AS FUNGICIDES Syngenta Participations AG (CH) 2003-11-12 EP claimed
EP-1355879-A1 CARBOXAMIDES AS FUNGICIDES IN AGRICULTURE Syngenta Participations AG (CH) 2003-10-29 EP claimed
EP-1341757-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES Syngenta Participations AG (CH) 2003-09-10 EP claimed
CN-1437583-A Trifluoromethylpyrrole carboxamides and trifluoromethylpyrrolethionamides as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2003-08-20 CN claimed
EP-1252139-A1 TRIFLUOROMETHYLPYRROLE CARBOXAMIDES AND TRIFLUOROMETHYLPYRROLETHIOAMIDES AS FUNGICIDES Syngenta Participations AG (CH) 2002-10-30 EP claimed
WO-2002064562-A1 PYRROLECARBOXAMIDES FOR THE USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2002-08-22 WO claimed
WO-2002059086-A1 CARBOXAMIDES AS FUNGICIDES IN AGRICULTURE SYNGENTA PARTICIPATIONS AG (CH) 2002-08-01 WO claimed
WO-2002038542-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2002-05-16 WO claimed
WO-2001049664-A1 TRIFLUOROMETHYLPYRROLE CARBOXAMIDES AND TRIFLUOROMETHYLPYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-07-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses CBR3, PYCR1, CBR1 TAS2R14 1942/4885ASPH 773/4885NOTUM 161/4885
US-20040171490-A1 Trifluoromethylpyrrolecarboxamides and Trifluoromethylpyrrolethioamides as fungicides CBR3, CBR1, PYCR1 TAS2R14 827/4885ASPH 3525/4885NOTUM 407/4885
US-20040138265-A1 Carboxamides as fungicides in agriculture CBR3, CBR1, CNPY3 TAS2R14 765/4885ASPH 1928/4885NOTUM 453/4885

“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.