SCHEMBL1490643

SCHEMBL1490643

Cc1ccc(-c2scc(NC(=O)c3ccc(F)c(F)c3O)c2C(=O)O)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPC1 O15118 3/20 0.38
NTRK1 P04629 1/20 0.36
HTT P42858 1/20 0.35
ANO1 Q5XXA6 5/20 0.35
ANO2 Q9NQ90 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC16A3 O15427 1/20 0.32
PTGER4 P35408 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SORT1 Q99523 1/20 0.31
ACLY P53396 1/20 0.31
PTPRC P08575 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL12830928 0.85 KMT2A (0.38) MEN1KMT2ANPC1NTRK1HTT
SCHEMBL12756866 0.85 MEN1 (0.44) MEN1KMT2ANPC1NTRK1HTT
SCHEMBL1490398 0.85 NPC1 (0.42) NPC1HTTANO1ANO2LMNA
SCHEMBL12756910 0.84 RAB9A (0.42) MEN1KMT2ANPC1NTRK1ANO1
SCHEMBL12756908 0.84 MEN1 (0.37) MEN1KMT2ANPC1NTRK1HTT
SCHEMBL1490580 0.84 KCNMA1 (0.47) NPC1HTTANO1LMNAMAPT
SCHEMBL12830989 0.84 MEN1 (0.32) MEN1KMT2ANPC1NTRK1HTT
SCHEMBL12756475 0.83 MEN1 (0.32) MEN1KMT2ANPC1NTRK1HTT
SCHEMBL1490543 0.82 TAS1R3 (0.42) MEN1KMT2ANPC1ANO1ANO2
SCHEMBL12756907 0.82 LMNA (0.42) MEN1KMT2ANPC1ANO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 EP disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 WO disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 US disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 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 (2 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885NPC1 262/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885NPC1 262/4885

“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.