SCHEMBL5232216

SCHEMBL5232216

CCOC(=O)c1cn(Cc2ccccc2)nc1N(C(=O)C1CCC(C)CC1)C1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.39
AGTR1 P30556 5/20 0.39
OPRM1 P35372 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM3 P20309 2/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5232208 1.00 POLB (0.42) POLBALDH1A1AGTR1OPRM1SIGMAR1
SCHEMBL14541972 0.89 CHRM2 (0.42) ALDH1A1AGTR1OPRM1SIGMAR1CHRM2
SCHEMBL5233642 0.87 NPSR1 (0.42) POLBALDH1A1OPRM1PKMNPSR1
SCHEMBL5233634 0.87 NPSR1 (0.42) POLBALDH1A1OPRM1PKMNPSR1
SCHEMBL5230493 0.87 AGTR1 (0.42) POLBALDH1A1AGTR1OPRM1SIGMAR1
SCHEMBL5236680 0.87 PDE4B (0.41) ALDH1A1AGTR1OPRM1SIGMAR1CHRM2
SCHEMBL5236672 0.87 PDE4B (0.41) ALDH1A1AGTR1OPRM1SIGMAR1CHRM2
SCHEMBL5230487 0.87 AGTR1 (0.42) POLBALDH1A1AGTR1OPRM1SIGMAR1
SCHEMBL5235482 0.85 GPR119 (0.43) POLBALDH1A1NPSR1LMNAMEN1
SCHEMBL5235471 0.85 GPR119 (0.43) POLBALDH1A1NPSR1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
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 POLB 1462/4885ALDH1A1 1138/4885AGTR1 1821/4885

“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.