SCHEMBL7943824

SCHEMBL7943824

O=C(CCc1cc2ccccc2o1)Nc1scc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ ANO1 Q5XXA6 4/20 0.47
▸ MEN1 O00255 8/20 0.47
▸ KMT2A Q03164 8/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TNF P01375 1/20 0.45
▸ PRNP P04156 1/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ NOD1 Q9Y239 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HTT P42858 2/20 0.41

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
SCHEMBL1951401 0.90 MEN1 (0.50) CASP3SENP8SENP7SENP6ANO1
SCHEMBL12756729 0.83 MMP2 (0.40) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL1954819 0.82 MEN1 (0.56) CASP3SENP8SENP7SENP6ANO1
SCHEMBL1954661 0.81 MEN1 (0.53) CASP3SENP8SENP7SENP6ANO1
SCHEMBL1954491 0.80 KMT2A (0.54) CASP3SENP8SENP7SENP6ANO1
SCHEMBL1952269 0.78 MEN1 (0.55) CASP3SENP8SENP7SENP6ANO1
SCHEMBL1951571 0.78 ANO1 (0.56) CASP3SENP8SENP7SENP6ANO1
SCHEMBL1954053 0.77 MEN1 (0.54) CASP3SENP8SENP7SENP6ANO1
SCHEMBL7948736 0.77 MKNK1 (0.44) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL1954817 0.76 CASP3 (0.59) CASP3SENP8SENP7SENP6ANO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394848-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-12 — — US disclosed
US-8394848-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-12 — — US disclosed
US-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 — — US disclosed
US-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 — — US disclosed
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-09-01 — — US disclosed
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-09-01 — — US disclosed
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-06-09 — — US disclosed
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-06-09 — — US disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 — — US disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 — — US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 — — US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 — — US disclosed
WO-2010027875-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-11 — — 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 (3 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-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CASP3 2232/4885SENP8 3756/4885SENP7 3940/4885
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CASP3 2232/4885SENP8 3756/4885SENP7 3940/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CASP3 2232/4885SENP8 3756/4885SENP7 3940/4885

“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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