SCHEMBL2179899

SCHEMBL2179899

Cc1cc(-c2csc(NC(=O)c3snnc3C)c2C(=O)O)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ANO1 Q5XXA6 3/20 0.39
POLB P06746 1/20 0.39
CRACR2A Q9BSW2 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.37
TRPC3 Q13507 1/20 0.37
ORAI1 Q96D31 1/20 0.37
TRPC5 Q9UL62 1/20 0.37
HTT P42858 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36

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
SCHEMBL12414151 0.85 KDM4E (0.41) ANO1CRACR2AMEN1KMT2ANPC1
SCHEMBL12831314 0.82 POLB (0.43) LMNAPOLBCRACR2AUSP2GAA
SCHEMBL12414132 0.78 CASP3 (0.62) LMNAANO1POLBMEN1KMT2A
SCHEMBL2180308 0.78 ANO1 (0.45) ANO1MEN1KMT2APOLQ
SCHEMBL12414149 0.76 ANO1 (0.46) ANO1MEN1KMT2ANPC1
SCHEMBL2182245 0.76 CASP3 (0.50) LMNAANO1GAAMEN1KMT2A
SCHEMBL1952139 0.76 MEN1 (0.64) LMNAANO1MEN1KMT2ANPC1
SCHEMBL1953387 0.76 ANO1 (0.68) ANO1
SCHEMBL2182088 0.75 LMNA (0.47) LMNAANO1POLBCRACR2AUSP2
SCHEMBL2180332 0.74 ANO1 (0.49) LMNAANO1POLBUSP2GAA

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-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-05 US disclosed
US-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-05 US disclosed
US-8372991-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-12 US disclosed
US-7981925-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2011-07-19 US disclosed
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-07-07 US disclosed
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-03-04 US disclosed
WO-2010025295-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-04 WO disclosed
WO-2010025295-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-04 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-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LMNA 1306/4885ANO1 114/4885POLB 4774/4885
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LMNA 1306/4885ANO1 114/4885POLB 4774/4885
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LMNA 1306/4885ANO1 114/4885POLB 4774/4885

“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.