SCHEMBL12756745

SCHEMBL12756745

Cc1ccc2c(c1)CC(C(=O)Nc1csc(-c3ccc(Br)cc3)c1C(=O)O)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 6/20 0.42
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ ROCK2 O75116 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ROCK1 Q13464 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
SCHEMBL12830901 0.89 GLS (0.46) GLSLMNATP53MEN1NPC1
SCHEMBL12756753 0.87 NFKB1 (0.43) GLSMAPTLMNARAB9AMEN1
SCHEMBL12271221 0.83 MEN1 (0.56) GLSMAPTLMNARAB9AMEN1
SCHEMBL12756756 0.83 GLS (0.49) GLSLMNAMEN1NPC1KMT2A
SCHEMBL12831055 0.75 NFKB1 (0.42) GLSMAPTLMNARAB9AMEN1
SCHEMBL12831001 0.75 NFKB1 (0.42) GLSMAPTLMNATP53RAB9A
SCHEMBL12756749 0.74 TP53 (0.56) MAPTLMNATP53ROCK2ROCK1
SCHEMBL12271719 0.74 ANO1 (0.57) MEN1KMT2A
SCHEMBL12756734 0.74 NPY5R (0.39) RAB9AMEN1NPC1KMT2ACASP3
SCHEMBL15479123 0.73 ANO1 (0.42) MEN1KMT2AHDAC3HDAC1HDAC2

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 2 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-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 GLS 289/4885MAPT 1478/4885LMNA 1306/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GLS 289/4885MAPT 1478/4885LMNA 1306/4885

“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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