SCHEMBL2369282

SCHEMBL2369282

O=C(c1cccc(Cl)c1Cl)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
P2RX7 Q99572 1/20 0.46
JAK2 O60674 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
CES1 P23141 2/20 0.43
CES2 O00748 1/20 0.43
PLA2G2D Q9UNK4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3784559 0.90 CES1 (0.46) TSHRCES1CES2PLA2G2DALDH1A1
SCHEMBL10587371 0.86 TSHR (0.57) TSHRERCC5FEN1P2RX7JAK2
SCHEMBL1471234 0.83 CES1 (0.58) ERCC5FEN1CES1CES2ALDH1A1
SCHEMBL29477191 0.83 CES1 (0.58) ERCC5FEN1CES1CES2ALDH1A1
SCHEMBL3793197 0.82 ALDH1A1 (0.47) TSHRFEN1CES1CES2PLA2G2D
SCHEMBL26599005 0.82 KAT6A (0.44) TSHRP2RX7CES1CES2PLA2G2D
SCHEMBL28578531 0.82 CES1 (0.39) TSHRCES1PLA2G2DPDK1PDK2
SCHEMBL11652748 0.82 TSHR (0.61) TSHRERCC5FEN1P2RX7JAK2
SCHEMBL10001176 0.80 TSHR (0.59) TSHRERCC5FEN1P2RX7JAK2
Trifluoroacetic Acid SCHEMBL7431372 0.78 TSHR (0.56) TSHRERCC5FEN1P2RX7JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9609869-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION, LLC (US) 2017-04-04 US disclosed
EP-2539335-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-21 EP disclosed
US-20140228577-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-08-14 US disclosed
US-20140206633-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-07-24 US disclosed
US-8735362-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION, LLC (US) 2014-05-27 US disclosed
EP-2539335-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES Syngenta Participations AG (CH) 2013-01-02 EP disclosed
US-20120238517-A1 INSECTICIDAL COMPOUNDS BASED ON ISOAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2012-09-20 US disclosed
WO-2011104089-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 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 (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-20140228577-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 TSHR 2301/4885ERCC5 3097/4885FEN1 4304/4885
US-20120238517-A1 INSECTICIDAL COMPOUNDS BASED ON ISOAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 TSHR 2887/4885ERCC5 3277/4885FEN1 4448/4885
US-20140206633-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES CYP1A2, CHRM1, CYP1A1 TSHR 607/4885ERCC5 4158/4885FEN1 3446/4885

“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.