SCHEMBL2087514

SCHEMBL2087514

CCc1nn(C)c(C(F)(F)F)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4203158 0.77 KDM4E (0.41) PKMMAPTGAAALDH1A1CYP1A2
SCHEMBL12499736 0.77 SRD5A2 (0.46)
SCHEMBL12499378 0.76 MAPT (0.40) MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL9199894 0.75 GAA (0.36) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL8304267 0.74 L3MBTL1 (0.44) MAPTGAAALDH1A1CYP1A2CYP2C19
SCHEMBL1496038 0.74 GAA (0.52) PKMGAAGABRPGABRDGABRA1
SCHEMBL15158194 0.73 PTGER4 (0.37) PKMMAPTKDM4EGRNSORT1
SCHEMBL12499826 0.73 CCR2 (0.39)
SCHEMBL12498747 0.73 AADAT (0.43) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12499705 0.72 HCAR2 (0.42) PKMMAPTCYP1A2CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854788-B1 METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYL PYRAZOLE-4-CARBOXYLATE SAGAMI CHEM RES (JP) 2012-06-13 EP disclosed
US-7863460-B2 Process for producing 1-substituted-3-fluoroalkylpyrazole-4-carboxylate SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-01-04 US disclosed
US-20080154045-A1 Process for Producing 1-Substituted-3-Fluoroalkylpyrazole-4-Carboxylate SAGAMI CHEMICAL RESEARCKH CENTER (JP) 2008-06-26 US disclosed
EP-1854788-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYL PYRAZOLE-4-CARBOXYLATE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2007-11-14 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-20080154045-A1 Process for Producing 1-Substituted-3-Fluoroalkylpyrazole-4-Carboxylate CYP4Z1, CYP3A4, HACL2 PKM 423/4885MAPT 2978/4885GAA 461/4885

“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.