SCHEMBL2430867

SCHEMBL2430867

CCN(c1cc(-c2ccc(NC(=O)c3cn(C)cn3)cc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.38
CYP2E1 P05181 1/20 0.37
SMYD3 Q9H7B4 1/20 0.34
CDK9 P50750 1/20 0.34
EZH2 Q15910 3/20 0.34
GBA1 P04062 1/20 0.34
KAT8 Q9H7Z6 1/20 0.33
NR1I2 O75469 2/20 0.33
EPHX2 P34913 1/20 0.33
SLC6A9 P48067 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
P2RX3 P56373 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 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
SCHEMBL2430873 1.00 ACKR3 (0.38) ACKR3CYP2E1SMYD3CDK9EZH2
SCHEMBL2431367 0.93 S1PR1 (0.37) ACKR3CYP2E1SMYD3CDK9KAT8
SCHEMBL2431370 0.93 S1PR1 (0.37) ACKR3CYP2E1SMYD3CDK9KAT8
SCHEMBL2432544 0.92 ALDH1A1 (0.38) ACKR3CYP2E1SMYD3CDK9KAT8
SCHEMBL2432537 0.92 ALDH1A1 (0.38) ACKR3CYP2E1SMYD3CDK9KAT8
SCHEMBL2434436 0.92 MAPT (0.39) ACKR3SMYD3CDK9EZH2P2RX3
SCHEMBL2434434 0.92 MAPT (0.39) ACKR3SMYD3CDK9EZH2P2RX3
SCHEMBL2431346 0.88 SMYD3 (0.36) ACKR3SMYD3KAT8PRMT5WDR77
SCHEMBL2436462 0.88 NR1I2 (0.37) ACKR3CYP2E1SMYD3CDK9GBA1
SCHEMBL2436465 0.88 NR1I2 (0.37) ACKR3CYP2E1SMYD3CDK9GBA1

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-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

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 ACKR3 3377/4885CYP2E1 118/4885SMYD3 3068/4885

“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.