SCHEMBL17047809

SCHEMBL17047809

CC1=C(C)C(Cl)N(c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.40
CCR2 P41597 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
HSP90AA1 P07900 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
IDH1 O75874 1/20 0.38
P2RX3 P56373 3/20 0.37
RAD51 Q06609 1/20 0.37
CHRM5 P08912 1/20 0.35
CYP11B2 P19099 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL17047703 0.84 XPO1 (0.44) HSP90AA1IDH1MEN1CYP1A2CYP3A4
SCHEMBL17047742 0.82 MEN1 (0.54) CCR2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL17047743 0.72 RAD51 (0.45) GSK3AGSK3BRAD51CYP11B2TRPV1
SCHEMBL17047671 0.69 HCAR1 (0.31) IDH1MEN1KMT2AALDH1A1MAPT
SCHEMBL8131868 0.68 HSP90AA1 (0.57) HSP90AA1CA12CA1CA2CA9
SCHEMBL9612030 0.65 CFTR (0.44) GSK3AGSK3BCA12CA2CA9
SCHEMBL16480454 0.65 NPC1 (0.49) CCR1CCR2GSK3AGSK3BCYP2C9
SCHEMBL12556880 0.65 ALDH1A1 (0.55) CA12CA1CA2CA9CYP1A2
SCHEMBL5509169 0.64 AR (0.40) CCR1CCR2GSK3AGSK3BCYP2C9
SCHEMBL5513575 0.64 AR (0.40) CCR1CCR2GSK3AGSK3BCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110808-B1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-08-29 EP disclosed
US-9751867-B2 Plant growth regulating compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-09-05 US disclosed
US-9751867-B2 Plant growth regulating compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-09-05 US disclosed
US-9751867-B2 Plant growth regulating compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-09-05 US disclosed
EP-3110808-A1 PLANT GROWTH REGULATING COMPOUNDS Syngenta Participations AG (CH) 2017-01-04 EP disclosed
US-20160368900-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-12-22 US disclosed
US-20160368900-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-12-22 US disclosed
US-20160368900-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-12-22 US disclosed
WO-2015128321-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-09-03 WO disclosed
WO-2015128321-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-09-03 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 (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-20160368900-A1 PLANT GROWTH REGULATING COMPOUNDS GHDC, GAK, EIF4G2 CCR1 4790/4885CCR2 4419/4885GSK3A 908/4885

“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.