SCHEMBL14840530

SCHEMBL14840530

Cc1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OCC(c1c(F)cccc1F)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.37
LTB4R2 Q9NPC1 5/20 0.37
ABL1 P00519 1/20 0.37
NOTUM Q6P988 1/20 0.36
RAF1 P04049 1/20 0.35
PGR P06401 2/20 0.34
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
ESR2 Q92731 1/20 0.33
BRD4 O60885 2/20 0.33
KIF11 P52732 1/20 0.33
DDR2 Q16832 2/20 0.33
IL2 P60568 1/20 0.32
PTGES O14684 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CREBBP Q92793 1/20 0.32
MAP2K4 P45985 1/20 0.32

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
SCHEMBL14840525 0.94 LTB4R (0.38) LTB4RLTB4R2NOTUMPGRESR1
SCHEMBL14840629 0.94 LTB4R (0.38) LTB4RLTB4R2NOTUMPGRESR1
SCHEMBL14840526 0.94 LTB4R (0.38) LTB4RLTB4R2NOTUMPGRESR1
SCHEMBL14840287 0.93 PTGES (0.37) LTB4RLTB4R2ABL1NOTUMRAF1
SCHEMBL14840696 0.87 PTGES (0.39) LTB4RLTB4R2PGRESR1NR3C1
SCHEMBL14840730 0.81 IL2 (0.45) IL2
SCHEMBL14840615 0.78 ABL1 (0.37) ABL1
SCHEMBL14840277 0.76 ORAI1 (0.44) ABL1BRD4CREBBP
SCHEMBL14840610 0.75 STIM1 (0.43) PGRNR3C1NR3C2
SCHEMBL14840773 0.73 STIM1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US claimed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 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-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS RYR2, CACNA1E, RYR1 LTB4R 501/4885LTB4R2 438/4885ABL1 3688/4885

“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.