SCHEMBL5230337

SCHEMBL5230337

CC1CCC(C(=O)N(c2nn(-c3ccc(CCc4ccccc4)cc3)cc2C(=O)O)C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RORC P51449 2/20 0.35
KDM5B Q9UGL1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
PARP1 P09874 2/20 0.33
OPRM1 P35372 2/20 0.33
DAGLA Q9Y4D2 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5228391 1.00 HPGD (0.35) HPGDSMN1; SMN2RORCKDM5BALDH1A1
SCHEMBL5229383 0.92 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1OPRM1KMT2AKDM4E
SCHEMBL5230228 0.91 ALDH1A1 (0.39) HPGDSMN1; SMN2KDM5BALDH1A1USP2
SCHEMBL5230218 0.91 ALDH1A1 (0.39) HPGDSMN1; SMN2KDM5BALDH1A1USP2
SCHEMBL14409874 0.91 KDM5B (0.34) HPGDSMN1; SMN2RORCKDM5BALDH1A1
SCHEMBL5232336 0.90 S1PR1 (0.35) SMN1; SMN2RORCKDM5BALDH1A1PARP1
SCHEMBL5233553 0.90 S1PR1 (0.35) SMN1; SMN2RORCKDM5BALDH1A1PARP1
SCHEMBL5232024 0.90 PARP1 (0.33) RORCKDM5BPARP1
SCHEMBL5232030 0.90 PARP1 (0.33) RORCKDM5BPARP1
SCHEMBL5230390 0.89 L3MBTL1 (0.38) HPGDSMN1; SMN2KDM5BALDH1A1USP2

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 6 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 claimed
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 HPGD 2212/4885SMN1; SMN2 3430/4885RORC 898/4885

“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.