SCHEMBL2776181

SCHEMBL2776181

CC(C)(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CCc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 9/20 0.44
ANO2 Q9NQ90 1/20 0.44
HTT P42858 3/20 0.44
TP53 P04637 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPRC P08575 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPA Q15257 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL12271455 0.90 POLB (0.46) ANO1HTTTP53RAB9APOLB
SCHEMBL1954228 0.89 RAB9A (0.52) ANO1HTTTP53RAB9APOLB
SCHEMBL1953704 0.86 ANO1 (0.59) ANO1ANO2TP53SMN1; SMN2
SCHEMBL15480674 0.84 CNR1 (0.40) TP53RAB9APOLBHPGDCNR1
SCHEMBL7955210 0.82 ANO1 (0.47) ANO1ANO2TP53RAB9AKDM4E
SCHEMBL12272042 0.80 KDM4E (0.58) ANO1HTTTP53RAB9APOLB
SCHEMBL1897754 0.78 ALDH1A1 (0.49) ANO1HTTTP53RAB9APOLB
SCHEMBL1954911 0.78 ANO1 (0.44) ANO1ANO2TP53SMN1; SMN2
SCHEMBL1950364 0.77 ANO1 (0.59) ANO1ANO2
SCHEMBL7948718 0.77 ANO1 (0.57) ANO1ANO2TP53SMN1; 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 7 patents. 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
CN-102256969-A Compounds that modulate intracellular calcium CALCIMEDICA INC 2011-11-23 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ANO1 114/4885ANO2 98/4885HTT 809/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ANO1 114/4885ANO2 98/4885HTT 809/4885

“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.