SCHEMBL17048769

SCHEMBL17048769

O=C(O)CC(=O)C(F)(F)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 1/20 0.46
AKR1B1 P15121 1/20 0.43
FAAH O00519 3/20 0.42
PTPN1 P18031 1/20 0.42
CPA1 P15085 1/20 0.41
KEAP1 Q14145 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
FDPS P14324 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 1/20 0.39
MMP8 P22894 1/20 0.39
CES2 O00748 1/20 0.39
TSHR P16473 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL11546063 0.82 CES1 (0.52) CES1SMN1; SMN2HIF1AAKR1B1FAAH
SCHEMBL5235928 0.79 SMN1; SMN2 (0.57) CES1SMN1; SMN2HIF1AAKR1B1FAAH
SCHEMBL7277718 0.79 KEAP1 (0.53) CES1SMN1; SMN2HIF1AFAAHKEAP1
SCHEMBL8684987 0.77 CES1 (0.46) CES1SMN1; SMN2HIF1AAKR1B1FAAH
SCHEMBL3438767 0.76 CES1 (0.48) CES1SMN1; SMN2HIF1AAKR1B1FAAH
SCHEMBL11533573 0.76 CTRB1 (0.51) CES1SMN1; SMN2HIF1APTPN1CYP2C9
SCHEMBL8115099 0.73 CES1 (0.46) CES1SMN1; SMN2HIF1AFAAHPTPN1
SCHEMBL4138709 0.72 CES1 (0.48) CES1SMN1; SMN2HIF1AAKR1B1FAAH
SCHEMBL27777241 0.72 CES1 (0.44) CES1SMN1; SMN2HIF1AAKR1B1FAAH
SCHEMBL11517195 0.72 PTPN1 (0.42) CES1SMN1; SMN2HIF1AFAAHPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA CES1 619/4885SMN1; SMN2 4679/4885HIF1A 1004/4885

“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.