SCHEMBL1951227

SCHEMBL1951227

O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccco1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.82
▸ TSHR P16473 3/20 0.82
▸ HSD17B10 Q99714 3/20 0.82
▸ TP53 P04637 2/20 0.82
▸ SMN1; SMN2 Q16637 2/20 0.82
▸ MEN1 O00255 1/20 0.82
▸ USP2 O75604 1/20 0.82
▸ PKM P14618 1/20 0.82
▸ HTT P42858 1/20 0.82
▸ KMT2A Q03164 1/20 0.82
▸ ANO1 Q5XXA6 16/20 0.67
▸ KDM4E B2RXH2 2/20 0.65
▸ NPC1 O15118 2/20 0.65
▸ HPGD P15428 2/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ LMNA P02545 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ ANO2 Q9NQ90 1/20 0.58

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
SCHEMBL1954658 0.88 MEN1 (0.82) ALDH1A1TSHRHSD17B10TP53SMN1; SMN2
SCHEMBL12271278 0.82 ANO1 (0.80) MEN1KMT2AANO1RAB9AANO2
SCHEMBL1953149 0.81 ANO1 (0.64) MEN1KMT2AANO1ANO2
SCHEMBL3631114 0.81 ANO1 (0.83) MEN1KMT2AANO1NPC1RAB9A
SCHEMBL29059603 0.81 ANO1 (1.00) MEN1KMT2AANO1ANO2
SCHEMBL1951951 0.81 ANO1 (0.67) ANO1ANO2
SCHEMBL13084567 0.81 MEN1 (0.81) MEN1KMT2AANO1ANO2
SCHEMBL14803236 0.80 ANO1 (0.80) ANO1ANO2
SCHEMBL1952182 0.79 KDM4E (0.57) ALDH1A1TSHRHSD17B10TP53SMN1; SMN2
SCHEMBL12271549 0.79 KMT2A (0.84) ALDH1A1TSHRHSD17B10TP53SMN1; SMN2

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 23 patents — showing the first 20. 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-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-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-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 — — US disclosed
CN-102256969-A Compounds that modulate intracellular calcium CALCIMEDICA INC 2011-11-23 — — CN 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-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-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
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 ALDH1A1 4409/4885TSHR 4111/4885HSD17B10 3352/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ALDH1A1 4409/4885TSHR 4111/4885HSD17B10 3352/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALDH1A1 4409/4885TSHR 4111/4885HSD17B10 3352/4885

“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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