SCHEMBL3339957

SCHEMBL3339957

CCOC(=O)c1ccc(-c2noc(-c3cn4cc(C(F)(F)F)cc(Br)c4n3)n2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 8/20 0.39
RARB P10826 8/20 0.39
RARG P13631 8/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.37
CNR2 P34972 2/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HSD17B10 Q99714 1/20 0.37
NFKB1 P19838 4/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36

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
SCHEMBL2495280 0.93 NPC1 (0.44) RARARARBRARGMAPTTP53
SCHEMBL13330766 0.88 RARA (0.40) RARARARBRARGMAPTTP53
SCHEMBL2494462 0.83 NPC1 (0.42) RARARARBRARGMAPTTP53
SCHEMBL3343544 0.83 SMN1; SMN2 (0.48) RARARARBRARGMAPTTSHR
SCHEMBL3343764 0.82 NPC1 (0.39) RARARARBRARGMAPTALDH1A1
SCHEMBL3345945 0.81 NPC1 (0.48) RARARARBRARGMAPTALDH1A1
SCHEMBL3340459 0.81 S1PR1 (0.46) RARARARBRARGMAPTALDH1A1
SCHEMBL3339391 0.81 S1PR1 (0.46) RARARARBRARGMAPTALDH1A1
SCHEMBL3339985 0.80 NPC1 (0.39) RARARARBRARGMAPTALDH1A1
SCHEMBL3339960 0.80 NPC1 (0.48) MAPTTP53TSHRALDH1A1LMNA

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 RARA 3367/4885RARB 2937/4885RARG 3185/4885

“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.