SCHEMBL2436462

SCHEMBL2436462

Cn1cnc(C(=O)Nc2ccc(-c3cc(N(C(=O)[C@H]4CC[C@H](C)CC4)C4CCC4)c(C(=O)O)s3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.37
ACKR3 P25106 1/20 0.37
S1PR1 P21453 4/20 0.35
SMYD3 Q9H7B4 1/20 0.34
DGAT1 O75907 1/20 0.32
GBA1 P04062 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
S1PR3 Q99500 1/20 0.32
CDK9 P50750 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
CYP2E1 P05181 1/20 0.31

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
SCHEMBL2436465 1.00 NR1I2 (0.37) NR1I2ACKR3S1PR1SMYD3DGAT1
SCHEMBL2429880 0.92 ACKR3 (0.36) ACKR3S1PR1SMYD3GSK3BDYRK1A
SCHEMBL2429886 0.92 ACKR3 (0.36) ACKR3S1PR1SMYD3GSK3BDYRK1A
SCHEMBL13630644 0.89 ACKR3 (0.37) ACKR3S1PR1SMYD3DGAT1GBA1
SCHEMBL2430873 0.88 ACKR3 (0.38) NR1I2ACKR3SMYD3GBA1CDK9
SCHEMBL2430867 0.88 ACKR3 (0.38) NR1I2ACKR3SMYD3GBA1CDK9
SCHEMBL2431346 0.88 SMYD3 (0.36) ACKR3SMYD3DGAT1GSK3BDYRK1A
SCHEMBL2431344 0.88 SMYD3 (0.36) ACKR3SMYD3DGAT1GSK3BDYRK1A
SCHEMBL2431370 0.86 S1PR1 (0.37) ACKR3S1PR1SMYD3S1PR3CDK9
SCHEMBL2431367 0.86 S1PR1 (0.37) ACKR3S1PR1SMYD3S1PR3CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP claimed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US claimed
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
EP-2086966-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 NR1I2 766/4885ACKR3 3377/4885S1PR1 2888/4885

“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.