SCHEMBL4098450

SCHEMBL4098450

COc1ccc2c(c1)CCC(C(=O)C(F)(F)F)C2=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.54
CYP26A1 O43174 3/20 0.54
CYP27A1 Q02318 3/20 0.53
CYP19A1 P11511 1/20 0.48
NQO2 P16083 4/20 0.45
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ACHE P22303 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL10333984 0.90 CYP19A1 (0.48) CYP24A1CYP26A1CYP27A1CYP19A1NQO2
SCHEMBL4622848 0.84 CYP24A1 (0.58) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL8921371 0.83 CYP24A1 (0.54) CYP24A1CYP26A1CYP27A1CYP19A1MTNR1A
SCHEMBL6343955 0.83 PARP10 (0.40) CYP24A1CYP26A1CYP27A1ACHESMN1; SMN2
SCHEMBL8921424 0.82 CYP24A1 (0.51) CYP24A1CYP26A1CYP27A1CYP19A1ACHE
SCHEMBL5217220 0.82 MAPK1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL14013777 0.79 CYP26A1 (0.42) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL630429 0.79 CYP24A1 (0.57) CYP24A1CYP26A1CYP27A1CYP19A1ACHE
SCHEMBL7290713 0.79 CYP24A1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1GAA
SCHEMBL972021 0.79 CYP24A1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1GAA

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
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

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 CYP24A1 468/4885CYP26A1 283/4885CYP27A1 335/4885

“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.