SCHEMBL2180659

SCHEMBL2180659

O=C(Nc1scc(-c2cccs2)c1C(=O)O)c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.72
KMT2A Q03164 6/20 0.72
RAB9A P51151 4/20 0.72
NLRP3 Q96P20 1/20 0.72
MAPT P10636 10/20 0.70
LMNA P02545 3/20 0.70
USP2 O75604 1/20 0.70
NPC1 O15118 2/20 0.64
TP53 P04637 3/20 0.61
TDP1 Q9NUW8 3/20 0.60
THRB P10828 2/20 0.60
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CRHBP P24387 1/20 0.56
HTT P42858 1/20 0.56
CRHR2 Q13324 1/20 0.56
ALDH1A1 P00352 2/20 0.54
HIF1A Q16665 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL12414127 0.88 MAPT (0.79) MEN1KMT2ARAB9ANLRP3MAPT
SCHEMBL3627477 0.84 MEN1 (1.00) MEN1KMT2ARAB9ANLRP3LMNA
SCHEMBL3622380 0.80 MEN1 (0.78) MEN1KMT2ARAB9ANLRP3LMNA
SCHEMBL3630485 0.80 MEN1 (0.74) MEN1KMT2ARAB9ANLRP3LMNA
SCHEMBL3630189 0.80 MEN1 (0.74) MEN1KMT2ARAB9ANLRP3MAPT
SCHEMBL12831294 0.78 MEN1 (0.52) MEN1KMT2ARAB9ANLRP3LMNA
SCHEMBL3629758 0.78 MEN1 (0.80) MEN1KMT2ARAB9ANLRP3MAPT
SCHEMBL3629623 0.78 MEN1 (0.80) MEN1KMT2ARAB9ANLRP3NPC1
SCHEMBL3629710 0.78 MEN1 (1.00) MEN1KMT2ARAB9ANLRP3MAPT
SCHEMBL3628382 0.78 MEN1 (0.80) MEN1KMT2ARAB9ANLRP3NPC1

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 MEN1 2958/4885KMT2A 4706/4885RAB9A 1174/4885
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885RAB9A 1174/4885
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885RAB9A 1174/4885

“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.