SCHEMBL13630644

SCHEMBL13630644

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.37
S1PR1 P21453 5/20 0.35
SMYD3 Q9H7B4 1/20 0.34
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
CDK9 P50750 1/20 0.31
KAT8 Q9H7Z6 2/20 0.31
SLC6A9 P48067 2/20 0.31
KCNH2 Q12809 2/20 0.31
SLC6A5 Q9Y345 2/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
DGAT1 O75907 1/20 0.30
GBA1 P04062 1/20 0.30
HPGD P15428 1/20 0.30
GRM4 Q14833 1/20 0.30
ALDH1A1 P00352 1/20 0.30
S1PR3 Q99500 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
SCHEMBL2436462 0.89 NR1I2 (0.37) ACKR3S1PR1SMYD3GSK3BDYRK1A
SCHEMBL12328894 0.89 ACKR3 (0.37) ACKR3S1PR1SMYD3GSK3BDYRK1A
SCHEMBL2436465 0.89 NR1I2 (0.37) ACKR3S1PR1SMYD3GSK3BDYRK1A
SCHEMBL2429880 0.88 ACKR3 (0.36) ACKR3S1PR1SMYD3GSK3BDYRK1A
SCHEMBL2429886 0.88 ACKR3 (0.36) ACKR3S1PR1SMYD3GSK3BDYRK1A
SCHEMBL13630804 0.86 ALDH1A1 (0.38) ACKR3S1PR1SMYD3GSK3BDYRK1A
SCHEMBL13630757 0.84 S1PR1 (0.31) S1PR1
SCHEMBL13630758 0.84 ACKR3 (0.34) ACKR3S1PR1SMYD3CDK9SLC6A9
SCHEMBL13630690 0.79 GRM4 (0.33) GRM4
SCHEMBL2430873 0.79 ACKR3 (0.38) ACKR3SMYD3CDK9KAT8SLC6A9

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 3377/4885S1PR1 2888/4885SMYD3 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.