SCHEMBL2428386

SCHEMBL2428386

C[C@H]1CC[C@H](C(=O)N(CC2CC2)c2cc(-c3ccc(NC(=O)c4cccnn4)cc3)sc2C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ACKR3 P25106 1/20 0.36
CYP2E1 P05181 1/20 0.33
S1PR1 P21453 2/20 0.33
P2RX3 P56373 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
MCHR1 Q99705 1/20 0.32
JAK1 P23458 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
SCHEMBL2428387 1.00 AHR (0.38) AHRKMT2AMEN1ACKR3CYP2E1
SCHEMBL2430784 0.92 KMT2A (0.41) AHRKMT2AMEN1ACKR3S1PR1
SCHEMBL2430780 0.92 KMT2A (0.41) AHRKMT2AMEN1ACKR3S1PR1
SCHEMBL2429921 0.91 GRM4 (0.41) JAK1
SCHEMBL2429926 0.91 GRM4 (0.41) JAK1
SCHEMBL2431362 0.86 SMN1; SMN2 (0.41) KMT2AJAK1
SCHEMBL2431366 0.86 SMN1; SMN2 (0.41) KMT2AJAK1
SCHEMBL2432684 0.86 KMT2A (0.39) AHRKMT2AMEN1ACKR3RAF1
SCHEMBL2432854 0.86 KMT2A (0.39) AHRKMT2AMEN1ACKR3RAF1
SCHEMBL2429346 0.86 KMT2A (0.39) AHRKMT2AMEN1ACKR3RAF1

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 12 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-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP claimed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 WO claimed
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
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
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 AHR 3680/4885KMT2A 2967/4885MEN1 4775/4885

“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.