SCHEMBL1531138

SCHEMBL1531138

Cc1cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.36
IKBKB O14920 1/20 0.34
THRA P10827 4/20 0.33
THRB P10828 4/20 0.33
HSD11B1 P28845 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
GABRB3 P28472 2/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
P2RX7 Q99572 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL1531076 0.92 DHODH (0.39) DHODHIKBKBTHRATHRBNR1H2
SCHEMBL1531231 0.90 DHODH (0.40) DHODHIKBKBSMN1; SMN2CYP1A2
SCHEMBL13326036 0.87 DHODH (0.38) DHODHIKBKBTHRATHRBCYP1A2
SCHEMBL28650610 0.87 KDM4E (0.31) DHODHTHRATHRBGABRB3GABRA2
SCHEMBL13406675 0.84 DHODH (0.36) DHODHIKBKB
SCHEMBL13325967 0.82 DHODH (0.33) DHODHIKBKBTHRATHRBLMNA
SCHEMBL1531115 0.80 TDP1 (0.46) LMNASMN1; SMN2CYP3A4
SCHEMBL1531388 0.77 GABRB3 (0.36) THRATHRBGABRB3GABRA2GABRB2
SCHEMBL1531091 0.76 CYP1A2 (0.52) LMNAHTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL1531172 0.76 THRA (0.39) THRATHRBGABRA2GABRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362852-B1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 2011-04-06 EP disclosed
EP-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 EP disclosed
US-7767827-B2 Pyrazole-1-carboxylate derivatives, process for the production thereof and process for the production of pyrazole derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-7767827-B2 Pyrazole-1-carboxylate derivatives, process for the production thereof and process for the production of pyrazole derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-7767827-B2 Pyrazole-1-carboxylate derivatives, process for the production thereof and process for the production of pyrazole derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-15 US disclosed
EP-1884512-A1 PYRAZOLE-1-CARBOXYLIC ESTER DERIVATIVE, METHOD FOR PRODUCING THE SAME AND METHOD FOR PRODUCING PYRAZOLE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2008-02-06 EP disclosed
EP-1884512-A1 PYRAZOLE-1-CARBOXYLIC ESTER DERIVATIVE, METHOD FOR PRODUCING THE SAME AND METHOD FOR PRODUCING PYRAZOLE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2008-02-06 EP disclosed
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1362852-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-11-19 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 (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-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT CYP51A1, CYP4F11, WEE1 DHODH 110/4885IKBKB 4312/4885THRA 3035/4885
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES WEE1, CYP51A1, CYP4B1 DHODH 272/4885IKBKB 4043/4885THRA 2161/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 DHODH 110/4885IKBKB 4312/4885THRA 3035/4885

“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.