SCHEMBL5263170

SCHEMBL5263170

Cc1nc(C(F)F)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.55
GABRD O14764 1/20 0.55
GABRA1 P14867 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRB2 P47870 1/20 0.55
GABRA4 P48169 1/20 0.55
GABRE P78334 1/20 0.55
GABRA6 Q16445 1/20 0.55
GABRG1 Q8N1C3 1/20 0.55
GABRG3 Q99928 1/20 0.55
GABRQ Q9UN88 1/20 0.55
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL19706424 0.83 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29232694 0.81 CYP1A2 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30946339 0.81 CYP1A2 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6216992 0.81 NPC1 (0.54) ALDH1A1SMN1; SMN2KDM4ERAB9AHPGD
SCHEMBL27830917 0.80 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19706325 0.80 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13853231 0.78 KDM4E (0.50) ALDH1A1RXFP1KDM4ERAB9AHPGD
SCHEMBL19667222 0.78 KEAP1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3234799 0.75 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31143168 0.75 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
EP-1824828-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS Peakdale Molecular Limited (GB) 2007-08-29 EP disclosed
WO-2006059103-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS PEAKDALE MOLECULAR LIMITED (GB) 2006-06-08 WO disclosed
EP-1140845-B1 SUSBSTITUTED PYRIDINE HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-02-23 EP disclosed
CN-1176907-C Substituted pyridine herbicides �����ɷ� 2004-11-24 CN disclosed
US-6673938-B1 Substituted pyridine herbicides SYNGENTA PARTICIPATIONS AG (CH) 2004-01-06 US disclosed
US-6534445-B1 Pyridine ketones for controlling weeds SYNGENTA PARTICIPATIONS AG (CH) 2003-03-18 US disclosed
US-20030040437-A1 Substituted pyridine herbicides SYNGENTA PARTICIPATIONS AG (CH) 2003-02-27 US disclosed
CN-1333751-A Substituted pyridine Herbicides SYNGENTA PARTICIPITATIONS AG (CH) 2002-01-30 CN disclosed
EP-1140845-A1 SUSBSTITUTED PYRIDINE HERBICIDES Syngenta Participations AG (CH) 2001-10-10 EP disclosed
WO-2000039094-A1 SUBSTITUTED PYRIDINE HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-07-06 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 (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-20030040437-A1 Substituted pyridine herbicides DDT, CYP1A1, CYP1B1 GABRP 1686/4885GABRD 1612/4885GABRA1 1300/4885
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK GABRP 2362/4885GABRD 4328/4885GABRA1 3292/4885

“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.