SCHEMBL4094460

SCHEMBL4094460

CC(C)c1ccc(C(=O)C(F)C(=O)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
USP5 P45974 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP2D6 P10635 1/20 0.40
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
PTPN5 P54829 1/20 0.38
HPGD P15428 1/20 0.38
MLYCD O95822 2/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
GSK3B P49841 1/20 0.36
POLB P06746 1/20 0.36
RXRA P19793 1/20 0.36

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
SCHEMBL6314721 0.79 CES2 (0.43) CES2CES1LMNAALDH1A1HTT
SCHEMBL4598911 0.78 CES1 (0.52) CES2CES1LMNAALDH1A1MLYCD
SCHEMBL4098335 0.78 ALDH1A1 (0.49) CES2CES1SMN1; SMN2LMNAMEN1
SCHEMBL14013776 0.76 SLC6A2 (0.39) CES2CES1ALDH1A1MLYCDGSK3B
SCHEMBL13384248 0.76 MLYCD (0.59) CYP2C9USP5CES1CYP2D6HIF1A
SCHEMBL195312 0.73 CYP2C9 (0.53) CYP2C9USP5CYP2D6HIF1ASMN1; SMN2
SCHEMBL10709870 0.71 CYP2C9 (0.52) CYP2C9USP5CES2CES1CYP2D6
SCHEMBL2358091 0.70 CYP2C9 (0.50) CYP2C9USP5CYP2D6HIF1ASMN1; SMN2
SCHEMBL25523223 0.70 HTT (0.52) CYP2C9USP5CYP2D6HIF1ASMN1; SMN2
SCHEMBL11372429 0.70 CES2 (0.58) CYP2C9USP5CES2CES1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
WO-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
WO-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 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 (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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT CYP2C9 590/4885USP5 4120/4885CES2 1375/4885

“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.