SCHEMBL1490329

SCHEMBL1490329

COc1c(F)c(F)cc(C(=O)Nc2csc(-c3ccc(I)cc3)c2C(=O)O)c1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.43
▸ ANO1 Q5XXA6 5/20 0.41
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ DHODH Q02127 2/20 0.39
▸ ABCB1 P08183 4/20 0.36
▸ ATM Q13315 2/20 0.35
▸ PRNP P04156 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ GFER P55789 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ ANO2 Q9NQ90 1/20 0.34
▸ ACLY P53396 1/20 0.34

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
SCHEMBL1490303 0.93 MEN1 (0.40) PTPN1ANO1MEN1KMT2ANPC1
SCHEMBL1490418 0.92 MEN1 (0.48) PTPN1ANO1MEN1KMT2ANPC1
SCHEMBL1490446 0.92 MEN1 (0.43) PTPN1ANO1MEN1KMT2ANPC1
SCHEMBL1490476 0.92 PTPN1 (0.43) PTPN1ANO1MEN1KMT2ANPC1
SCHEMBL1490300 0.91 MEN1 (0.44) PTPN1ANO1MEN1KMT2ANPC1
SCHEMBL1490569 0.91 ANO1 (0.46) PTPN1ANO1MEN1KMT2ANPC1
SCHEMBL1490214 0.89 DHODH (0.41) PTPN1ANO1MEN1KMT2ANPC1
SCHEMBL1490463 0.86 DHODH (0.41) ANO1MEN1KMT2ANPC1DHODH
SCHEMBL1490444 0.85 DHODH (0.52) PTPN1MEN1KMT2ANPC1DHODH
SCHEMBL1490447 0.85 MEN1 (0.43) MEN1KMT2ANPC1DHODHABCB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 — — US disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 — — 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 PTPN1 3156/4885ANO1 114/4885MEN1 2958/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 PTPN1 3156/4885ANO1 114/4885MEN1 2958/4885

“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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