SCHEMBL3340644

SCHEMBL3340644

Cc1c(I)ccc2nc(-c3nc(-c4cc(F)c(CCC(=O)OC(C)(C)C)cc4Cl)no3)cn12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.35
CNR2 P34972 8/20 0.34
CNR1 P21554 4/20 0.34
S1PR1 P21453 7/20 0.33
S1PR5 Q9H228 2/20 0.33
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
S1PR3 Q99500 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL3340563 0.89 S1PR1 (0.38) S1PR1S1PR5RARARARBRARG
SCHEMBL13330803 0.81 CNR2 (0.33) CNR2CNR1S1PR1
SCHEMBL3342731 0.81 CNR2 (0.33) CNR2CNR1S1PR1S1PR5
SCHEMBL13303833 0.77 SMN1; SMN2 (0.39) CNR2CNR1S1PR1RARARARB
SCHEMBL3343532 0.76 CNR2 (0.34) CNR2CNR1S1PR1S1PR5S1PR3
SCHEMBL3342478 0.75 S1PR1 (0.37) KITCNR2CNR1S1PR1S1PR5
SCHEMBL3340738 0.75 S1PR1 (0.37) CNR2CNR1S1PR1S1PR5S1PR3
SCHEMBL13330767 0.74 S1PR1 (0.34) KITCNR2CNR1S1PR1S1PR5
SCHEMBL3340196 0.73 S1PR1 (0.38) CNR2CNR1S1PR1S1PR5RARA
SCHEMBL3347312 0.70 CNR2 (0.42) CNR2CNR1S1PR1S1PR5RARA

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 KIT 461/4885CNR2 35/4885CNR1 16/4885

“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.