SCHEMBL7959431

SCHEMBL7959431

COc1ccc2c(c1)CC(C(=O)Nc1scc(-c3ccc(Br)cc3)c1C(=O)O)CO2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.54
▸ POLB P06746 1/20 0.54
▸ LMNA P02545 3/20 0.53
▸ ROCK2 O75116 6/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TNF P01375 1/20 0.49
▸ PRNP P04156 1/20 0.49
▸ NOD2 Q9HC29 1/20 0.49
▸ NOD1 Q9Y239 1/20 0.49
▸ RPS6KB1 P23443 1/20 0.47
▸ ROCK1 Q13464 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ ANO1 Q5XXA6 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47

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
SCHEMBL1952393 0.85 ADORA2A (0.49) ROCK2MEN1KMT2ATNFPRNP
SCHEMBL12756749 0.85 TP53 (0.56) TP53POLBLMNAROCK2RPS6KB1
SCHEMBL12562095 0.80 TP53 (0.77) TP53POLBLMNAROCK2RPS6KB1
SCHEMBL13457441 0.77 LMNA (0.66) TP53POLBLMNAROCK2RPS6KB1
SCHEMBL1986458 0.77 ROCK2 (0.69) TP53POLBLMNAROCK2ROCK1
SCHEMBL1954473 0.77 MEN1 (0.55) TP53LMNAMEN1KMT2ATNF
SCHEMBL12314162 0.75 GRIN2C (0.78) MEN1KMT2ATNFPRNPNOD2
SCHEMBL12271221 0.74 MEN1 (0.56) POLBLMNAMEN1KMT2ATNF
SCHEMBL1954085 0.73 ANO1 (0.53) MEN1KMT2ATNFPRNPNOD2
SCHEMBL1954232 0.72 CASP3 (0.52) TP53LMNAMEN1KMT2ATNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
US-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
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 (4 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 TP53 2681/4885POLB 4774/4885LMNA 1306/4885
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TP53 2681/4885POLB 4774/4885LMNA 1306/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 TP53 2681/4885POLB 4774/4885LMNA 1306/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TP53 2681/4885POLB 4774/4885LMNA 1306/4885

“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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