SCHEMBL2602126

SCHEMBL2602126

[C-]#[N+]c1cc(I)ccc1OC(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.33
RORC P51449 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
SCHEMBL12000467 0.79 CSNK2A1 (0.33) CSNK2A1RORC
SCHEMBL12034413 0.78 ALDH1A1 (0.42)
SCHEMBL2617326 0.73 KMT2A (0.49)
SCHEMBL12220698 0.73 IRAK4 (0.43)
SCHEMBL6112972 0.73 TSHR (0.39) CSNK2A1RORC
SCHEMBL24460269 0.72 SLC6A4 (0.49) CSNK2A1RORC
SCHEMBL4152456 0.72 PDE4B (0.42) CSNK2A1
SCHEMBL2851014 0.72 ALOX15 (0.37) CSNK2A1RORC
SCHEMBL6113174 0.72 XDH (0.38) CSNK2A1RORC
SCHEMBL26386327 0.72 CSNK2A1 (0.56) CSNK2A1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120094979-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-04-19 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 (2 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-20120094979-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR5, S1PR2 CSNK2A1 2115/4885RORC 196/4885
US-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING S1PR1, S1PR2, S1PR3 CSNK2A1 2499/4885RORC 500/4885

“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.