SCHEMBL2181261

SCHEMBL2181261

O=C(Nc1scc(-c2ccc(Cl)s2)c1C(=O)O)c1cc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 0.48
▸ NPC1 O15118 13/20 0.48
▸ TP53 P04637 7/20 0.48
▸ SMN1; SMN2 Q16637 7/20 0.48
▸ PKM P14618 2/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ TSHR P16473 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL7963500 0.88 RAB9A (0.53) RAB9ANPC1TP53SMN1; SMN2PKM
SCHEMBL2181191 0.88 RAB9A (0.48) RAB9ANPC1TP53SMN1; SMN2PKM
SCHEMBL2180091 0.85 RAB9A (0.49) RAB9ANPC1TP53SMN1; SMN2PKM
SCHEMBL1953050 0.83 NPC1 (0.54) RAB9ANPC1TP53SMN1; SMN2PKM
SCHEMBL12756799 0.83 RAB9A (0.51) RAB9ANPC1TP53SMN1; SMN2PKM
SCHEMBL1896620 0.81 RAB9A (0.47) RAB9ANPC1TP53SMN1; SMN2PKM
SCHEMBL1898325 0.81 MEN1 (0.51) RAB9ANPC1TP53SMN1; SMN2PKM
SCHEMBL2181409 0.81 MEN1 (0.54) RAB9ANPC1TP53SMN1; SMN2PKM
SCHEMBL1894320 0.80 NPC1 (0.51) RAB9ANPC1TP53SMN1; SMN2PKM
SCHEMBL1954317 0.80 RAB9A (0.46) RAB9ANPC1TP53SMN1; SMN2PKM

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 17 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-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-8372991-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-12 — — 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-7981925-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2011-07-19 — — 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-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-07-07 — — 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
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-03-04 — — 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 RAB9A 1174/4885NPC1 262/4885TP53 2681/4885
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885TP53 2681/4885
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885TP53 2681/4885

“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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