SCHEMBL2124129

SCHEMBL2124129

Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCN(C[C@@H](O)CO)C2

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.77
S1PR5 Q9H228 1/20 0.60
XDH P47989 1/20 0.40
KCNH2 Q12809 2/20 0.39
S1PR3 Q99500 1/20 0.38

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
SCHEMBL2126639 1.00 S1PR1 (0.77) S1PR1S1PR5XDHKCNH2S1PR3
SCHEMBL2124460 0.90 S1PR1 (0.83) S1PR1S1PR5XDHS1PR3
Hydrochloric Acid SCHEMBL2122999 0.89 S1PR1 (0.82) S1PR1S1PR5XDHS1PR3
SCHEMBL2134665 0.89 S1PR1 (0.75) S1PR1S1PR5
SCHEMBL13013295 0.89 S1PR1 (0.62) S1PR1S1PR5
SCHEMBL13013516 0.89 S1PR1 (0.62) S1PR1S1PR5
SCHEMBL2124847 0.89 S1PR1 (0.75) S1PR1S1PR5
SCHEMBL2128597 0.89 S1PR1 (0.81) S1PR1S1PR5XDHS1PR3
SCHEMBL2122637 0.87 S1PR1 (1.00) S1PR1S1PR5XDHS1PR3
SCHEMBL2122917 0.87 S1PR1 (0.73) S1PR1S1PR5XDHKCNH2S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101086-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2012-04-26 US claimed
US-20120101086-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101086-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101086-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
EP-2443116-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY SLPL RECEPTORS Glaxo Group Limited (GB) 2012-04-25 EP disclosed
WO-2010146104-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY SLPL RECEPTORS GLAXO GROUP LIMITED (GB) 2010-12-23 WO 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-20120101086-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY S1P1 RECEPTORS S1PR1, S1PR3, S1PR5 S1PR1 1/4885S1PR5 3/4885XDH 2300/4885

“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.