SCHEMBL3342541

SCHEMBL3342541

CC(C)Cc1cc(Cl)c2nc(-c3nc(-c4cc(F)c(CCC(=O)O)cc4Cl)no3)cn2c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.44
S1PR3 Q99500 7/20 0.44
S1PR5 Q9H228 7/20 0.38
S1PR4 O95977 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL3342478 0.89 S1PR1 (0.37) S1PR1S1PR3S1PR5CNR1CNR2
SCHEMBL3338104 0.89 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL2492887 0.86 S1PR1 (0.45) S1PR1S1PR3S1PR5
SCHEMBL3339335 0.85 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL2499500 0.85 S1PR1 (0.36) S1PR1S1PR3S1PR5
SCHEMBL3338446 0.85 S1PR1 (0.40) S1PR1S1PR3S1PR5
SCHEMBL3338890 0.84 S1PR1 (0.38) S1PR1
SCHEMBL2503216 0.84 SMN1; SMN2 (0.43) S1PR1S1PR3S1PR5CNR1CNR2
SCHEMBL3340921 0.84 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL3339929 0.84 S1PR1 (0.37) S1PR1S1PR3S1PR5CNR1CNR2

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 1/4885S1PR3 3/4885S1PR5 2/4885

“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.