SCHEMBL12756301

SCHEMBL12756301

O=C(Nc1csc(-c2ccc(Cl)c(F)c2)c1C(=O)O)c1nc2c(F)cccc2o1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.41
▸ DAGLA Q9Y4D2 1/20 0.36
▸ KMO O15229 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ EIF4E P06730 2/20 0.33
▸ IL2 P60568 1/20 0.33
▸ ANO1 Q5XXA6 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ LCLAT1 Q6UWP7 1/20 0.33

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
SCHEMBL12756319 0.90 ANO1 (0.38) ABL1DAGLAMEN1KMT2AANO1
SCHEMBL12830013 0.88 RAB9A (0.41) ABL1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL12756329 0.88 DAGLA (0.38) ABL1DAGLASMN1; SMN2POLBMEN1
SCHEMBL12756396 0.86 ABL1 (0.39) ABL1KMOSMN1; SMN2POLBMEN1
SCHEMBL1953507 0.84 ANO1 (0.49) MEN1KMT2AANO1
SCHEMBL12830946 0.80 THRB (0.40) ANO1LMNA
SCHEMBL12756310 0.80 ANO1 (0.38) SMN1; SMN2MEN1KMT2AANO1MAPT
SCHEMBL12756309 0.80 RAB9A (0.43) ABL1POLBMEN1KMT2AMAPT
SCHEMBL12756328 0.79 ANO1 (0.37) ANO1MAPTLMNA
SCHEMBL12830134 0.79 FAAH (0.39) SMN1; SMN2POLBMEN1KMT2AMAPT

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 5 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
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 ABL1 4066/4885DAGLA 1436/4885KMO 4235/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ABL1 4066/4885DAGLA 1436/4885KMO 4235/4885

“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.

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