SCHEMBL7950439

SCHEMBL7950439

O=C(Nc1scc(-c2c[nH]c3ccccc23)c1C(=O)O)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
RAB9A P51151 4/20 0.52
NLRP3 Q96P20 1/20 0.52
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
BACE1 P56817 2/20 0.45
NPC1 O15118 3/20 0.44
KCNK3 O14649 1/20 0.43
GRIN2C Q14957 1/20 0.43
PDE10A Q9Y233 1/20 0.43
ANO1 Q5XXA6 3/20 0.42
PKM P14618 1/20 0.42
ANO2 Q9NQ90 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNJ11 Q14654 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2179504 0.85 RAB9A (0.45) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL12830504 0.83 MEN1 (0.45) MEN1KMT2ARAB9ABACE1NPC1
SCHEMBL3628701 0.80 MEN1 (0.57) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL2181392 0.78 RAB9A (0.58) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL3631230 0.77 CASP3 (0.54) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL2179992 0.77 MAOB (0.48) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL3630501 0.76 ANO1 (0.56) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL723004 0.76 CASP3 (0.77) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL3630778 0.76 ANO1 (0.71) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL3629752 0.76 MEN1 (0.76) MEN1KMT2ARAB9ANLRP3CASP3

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-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-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
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.