SCHEMBL3338890

SCHEMBL3338890

CS(=O)(=O)c1cc(Cl)c2nc(-c3nc(-c4cc(F)c(CCC(=O)O)cc4Cl)no3)cn2c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.38
DPP4 P27487 12/20 0.37
DPP7 Q9UHL4 10/20 0.36
KCNH2 Q12809 3/20 0.34
FFAR1 O14842 1/20 0.33

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
SCHEMBL3338104 0.88 S1PR1 (0.38) S1PR1FFAR1
SCHEMBL3339352 0.88 DPP4 (0.38) S1PR1DPP4DPP7FFAR1
SCHEMBL3339335 0.86 S1PR1 (0.38) S1PR1FFAR1
SCHEMBL2499500 0.86 S1PR1 (0.36) S1PR1FFAR1
SCHEMBL3338446 0.86 S1PR1 (0.40) S1PR1FFAR1
SCHEMBL2503216 0.85 SMN1; SMN2 (0.43) S1PR1FFAR1
SCHEMBL3340921 0.84 S1PR1 (0.38) S1PR1FFAR1
SCHEMBL3339929 0.84 S1PR1 (0.37) S1PR1FFAR1
SCHEMBL3342541 0.84 S1PR1 (0.44) S1PR1
SCHEMBL3340292 0.84 S1PR1 (0.35) S1PR1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
WO-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 S1PR1 1/4885DPP4 2190/4885DPP7 1882/4885

“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.