SCHEMBL13630758

SCHEMBL13630758

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
S1PR1 P21453 3/20 0.32
SMYD3 Q9H7B4 1/20 0.31
DGAT1 O75907 2/20 0.30
SLC6A9 P48067 1/20 0.30
SLC6A5 Q9Y345 1/20 0.30
CDK9 P50750 1/20 0.30

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
SCHEMBL2432185 0.90 ACKR3 (0.34) ACKR3PRMT5WDR77S1PR1SMYD3
SCHEMBL2433249 0.90 ACKR3 (0.34) ACKR3PRMT5WDR77S1PR1SMYD3
SCHEMBL2430622 0.90 ACKR3 (0.34) ACKR3PRMT5WDR77S1PR1SMYD3
SCHEMBL2433246 0.90 ACKR3 (0.34) ACKR3PRMT5WDR77S1PR1SMYD3
SCHEMBL13630804 0.89 ALDH1A1 (0.38) ACKR3PRMT5WDR77S1PR1SMYD3
SCHEMBL13630955 0.87 GRM4 (0.35) S1PR1DGAT1
SCHEMBL12328894 0.85 ACKR3 (0.37) ACKR3PRMT5WDR77S1PR1SMYD3
SCHEMBL13630644 0.84 ACKR3 (0.37) ACKR3PRMT5WDR77S1PR1SMYD3
SCHEMBL2431346 0.80 SMYD3 (0.36) ACKR3PRMT5WDR77SMYD3DGAT1
SCHEMBL2431344 0.80 SMYD3 (0.36) ACKR3PRMT5WDR77SMYD3DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3377/4885PRMT5 1015/4885WDR77 3003/4885

“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.