SCHEMBL7951492

SCHEMBL7951492

CC(C)(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C1CCc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ PTPRC P08575 2/20 0.45
▸ PTPN2 P17706 2/20 0.45
▸ PTPN1 P18031 2/20 0.45
▸ ALDH1A1 P00352 7/20 0.43
▸ POLB P06746 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 7/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ ANO1 Q5XXA6 3/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL1951883 0.87 ANO1 (0.57) ANO1MEN1KMT2A
SCHEMBL1953124 0.87 ANO1 (0.57) ANO1MEN1KMT2A
SCHEMBL1907652 0.87 ANO1 (0.57) ANO1MEN1KMT2A
SCHEMBL7950840 0.81 PRKCZ (0.39) ALDH1A1LMNAHPGDANO1MEN1
SCHEMBL1954030 0.79 ANO1 (0.63) ANO1MEN1KMT2A
SCHEMBL1954232 0.77 CASP3 (0.52) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL12799228 0.74 TP53 (0.50) PTPRCPTPN2PTPN1ALDH1A1POLB
SCHEMBL7951789 0.74 TP53 (0.46) PTPRCPTPN2PTPN1POLBKDM4E
SCHEMBL1954228 0.74 RAB9A (0.52) ALDH1A1POLBLMNAMAPTKDM4E
SCHEMBL12271467 0.74 TP53 (0.50) PTPRCPTPN2PTPN1ALDH1A1POLB

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 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-20130245025-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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