SCHEMBL1952182

SCHEMBL1952182

O=C(CCc1ccco1)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ ANO1 Q5XXA6 14/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ PKM P14618 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ NTRK1 P04629 1/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ ANO2 Q9NQ90 1/20 0.48

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
SCHEMBL1954661 0.90 MEN1 (0.53) KDM4ENPSR1ANO1SMN1; SMN2MEN1
SCHEMBL12272042 0.86 KDM4E (0.58) KDM4ENPSR1ANO1SMN1; SMN2MEN1
SCHEMBL2775889 0.84 ANO1 (0.58) ANO1MEN1KMT2AANO2MAPT
SCHEMBL1954847 0.84 ANO1 (0.68) ANO1MEN1KMT2AANO2
SCHEMBL1954102 0.84 ANO1 (0.61) ANO1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL1954403 0.83 ANO1 (0.60) ANO1ANO2
SCHEMBL1795098 0.82 ANO1 (0.64) ANO1ANO2
SCHEMBL1954278 0.82 ANO1 (0.65) ANO1MEN1KMT2AANO2
SCHEMBL12756722 0.81 NTRK1 (0.49) KDM4ENPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL1950364 0.80 ANO1 (0.59) ANO1ANO2

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 KDM4E 4057/4885NPSR1 1857/4885ANO1 114/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 KDM4E 4057/4885NPSR1 1857/4885ANO1 114/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KDM4E 4057/4885NPSR1 1857/4885ANO1 114/4885

“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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