SCHEMBL5239223

SCHEMBL5239223

CC1CCC(C(=O)N(c2nn(-c3ccccc3)cc2C(=O)O)C2CCN(S(C)(=O)=O)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
NPY5R Q15761 4/20 0.40
MAPT P10636 2/20 0.38
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
RECQL P46063 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
USP2 O75604 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.34
TSHR P16473 1/20 0.34
OPRM1 P35372 1/20 0.34
CACNA2D1 P54289 1/20 0.34

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
SCHEMBL5237921 1.00 POLB (0.41) POLBNPY5RMAPTALDH1A1KDM4E
SCHEMBL5233634 0.89 NPSR1 (0.42) POLBNPY5RALDH1A1SMN1; SMN2MEN1
SCHEMBL5233642 0.89 NPSR1 (0.42) POLBNPY5RALDH1A1SMN1; SMN2MEN1
SCHEMBL5237029 0.89 CACNA2D1 (0.43) POLBMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL5238433 0.89 CACNA2D1 (0.43) POLBMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL5233487 0.87 ALDH1A1 (0.38) POLBMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL5233491 0.87 ALDH1A1 (0.38) POLBMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL5238148 0.87 POLB (0.40) POLBNPY5RMAPTALDH1A1KDM4E
SCHEMBL5235207 0.87 L3MBTL1 (0.35) POLBNPY5RMAPTALDH1A1KDM4E
SCHEMBL5235195 0.87 L3MBTL1 (0.35) POLBNPY5RMAPTALDH1A1KDM4E

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-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US claimed
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 1462/4885NPY5R 2549/4885MAPT 4522/4885

“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.