SCHEMBL5654982

SCHEMBL5654982

CCOC(=O)c1cn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 3/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 5/20 0.33
MAPT P10636 4/20 0.33
MAPK1 P28482 2/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
DRD4 P21917 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 2/20 0.32

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
SCHEMBL5320480 1.00 HPGD (0.36) HPGDPTGDR2ALDH1A1ATMNPSR1
SCHEMBL5229752 0.92 NPSR1 (0.40) ALDH1A1NPSR1MAPTKMT2ACYP1A2
SCHEMBL5229742 0.92 NPSR1 (0.40) ALDH1A1NPSR1MAPTKMT2ACYP1A2
SCHEMBL5235745 0.91 NPSR1 (0.38) HPGDPTGDR2ALDH1A1NPSR1MAPT
SCHEMBL5235753 0.91 NPSR1 (0.38) HPGDPTGDR2ALDH1A1NPSR1MAPT
SCHEMBL5237060 0.88 NPC1 (0.38) HPGDALDH1A1NPSR1MAPTMAPK1
SCHEMBL5237057 0.88 NPC1 (0.38) HPGDALDH1A1NPSR1MAPTMAPK1
SCHEMBL5232506 0.88 HPGD (0.35) HPGDALDH1A1NPSR1MAPTMAPK1
SCHEMBL5232514 0.88 HPGD (0.35) HPGDALDH1A1NPSR1MAPTMAPK1
SCHEMBL5228891 0.87 PTGDR2 (0.34) PTGDR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
EP-1730116-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-13 EP disclosed
WO-2005092863-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-06 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-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents HAVCR2, RPL35, ZC3HAV1L HPGD 2212/4885PTGDR2 4316/4885ALDH1A1 1138/4885

“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.