SCHEMBL13630804

SCHEMBL13630804

COCCN(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 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
S1PR1 P21453 5/20 0.36
ACKR3 P25106 1/20 0.35
CDK9 P50750 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
EPHX2 P34913 1/20 0.31
SLC6A9 P48067 2/20 0.31
KCNH2 Q12809 2/20 0.31
SLC6A5 Q9Y345 2/20 0.31
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
RET P07949 1/20 0.30
GBA1 P04062 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
SCHEMBL12328894 0.93 ACKR3 (0.37) ALDH1A1S1PR1ACKR3CDK9SMYD3
SCHEMBL2436046 0.89 ALDH1A1 (0.38) ALDH1A1S1PR1ACKR3CDK9SMYD3
SCHEMBL2432537 0.89 ALDH1A1 (0.38) ALDH1A1S1PR1ACKR3CDK9SMYD3
SCHEMBL2436051 0.89 ALDH1A1 (0.38) ALDH1A1S1PR1ACKR3CDK9SMYD3
SCHEMBL2432544 0.89 ALDH1A1 (0.38) ALDH1A1S1PR1ACKR3CDK9SMYD3
SCHEMBL13630758 0.89 ACKR3 (0.34) S1PR1ACKR3CDK9SMYD3PRMT5
SCHEMBL13630644 0.86 ACKR3 (0.37) ALDH1A1S1PR1ACKR3CDK9SMYD3
SCHEMBL2434434 0.83 MAPT (0.39) ALDH1A1ACKR3CDK9SMYD3PRMT5
SCHEMBL2434436 0.83 MAPT (0.39) ALDH1A1ACKR3CDK9SMYD3PRMT5
SCHEMBL2430867 0.81 ACKR3 (0.38) ACKR3CDK9SMYD3PRMT5WDR77

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 ALDH1A1 860/4885S1PR1 2888/4885ACKR3 3377/4885

“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.