SCHEMBL3340962

SCHEMBL3340962

COc1cc2nc(-c3nc(-c4cc(F)c(CCC(=O)O)cc4Cl)no3)cn2cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.43
SUV39H2 Q9H5I1 10/20 0.40
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR5 Q9H228 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL3338446 0.84 S1PR1 (0.40) S1PR1MEN1MAPTKMT2AS1PR5
SCHEMBL3340196 0.83 S1PR1 (0.38) S1PR1S1PR5
SCHEMBL3338104 0.82 S1PR1 (0.38) S1PR1S1PR5
SCHEMBL3343545 0.82 ALDH1A1 (0.41) S1PR1MEN1MAPTKMT2AALDH1A1
SCHEMBL3347312 0.82 CNR2 (0.42) S1PR1MEN1MAPTKMT2AS1PR5
SCHEMBL3340921 0.81 S1PR1 (0.38) S1PR1S1PR5
SCHEMBL3339929 0.80 S1PR1 (0.37) S1PR1S1PR5
SCHEMBL3340282 0.80 S1PR1 (0.38) S1PR1S1PR5
SCHEMBL3340236 0.80 S1PR1 (0.35) S1PR1S1PR5
SCHEMBL3339335 0.79 S1PR1 (0.38) S1PR1S1PR5

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 3 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

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 1/4885SUV39H2 2419/4885MEN1 525/4885

“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.