SCHEMBL13630757

SCHEMBL13630757

C[C@H]1CC[C@H](C(=O)N(c2cc(-c3ccc(NC(=O)c4cc[nH]n4)cc3)sc2C=O)C2CCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.31
SPR P35270 1/20 0.31

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
SCHEMBL2435983 0.89 NR1I2 (0.35) S1PR1SPR
SCHEMBL2435980 0.89 NR1I2 (0.35) S1PR1SPR
SCHEMBL2432964 0.88 KDM4E (0.37)
SCHEMBL13630669 0.88 EZH2 (0.35) SPR
SCHEMBL2432963 0.88 KDM4E (0.37)
SCHEMBL13630801 0.87 S1PR1 (0.33) S1PR1
SCHEMBL13630644 0.84 ACKR3 (0.37) S1PR1
SCHEMBL13630690 0.79 GRM4 (0.33)
SCHEMBL2431148 0.77 EZH2 (0.35)
SCHEMBL2431146 0.77 EZH2 (0.35)

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 S1PR1 2888/4885SPR 1374/4885

“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.