SCHEMBL12756509

SCHEMBL12756509

Cc1cc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)c(C)o1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ CYP26A1 O43174 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ ANO1 Q5XXA6 9/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ POLB P06746 1/20 0.42

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
SCHEMBL12756507 0.91 HPGD (0.48) HPGDNPC1RAB9ACYP26A1RECQL
SCHEMBL12829995 0.88 NPC1 (0.54) HPGDNPC1RAB9AANO1MEN1
SCHEMBL12756498 0.82 ANO1 (0.46) ANO1
SCHEMBL12756890 0.81 PPARG (0.56) NPC1RAB9AANO1MEN1KMT2A
SCHEMBL12830876 0.80 NPC1 (0.40) HPGDNPC1RAB9AANO1MEN1
SCHEMBL1951963 0.80 ANO1 (0.69) ANO1
SCHEMBL12831044 0.80 ANO1 (0.47) RAB9AANO1POLB
SCHEMBL12756508 0.79 ALDH1A1 (0.54) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL12830137 0.79 ANO1 (0.65) HPGDNPC1RAB9AANO1MEN1
SCHEMBL1490509 0.79 KMT2A (0.55) HPGDNPC1RAB9AANO1MEN1

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 4 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-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
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 HPGD 1883/4885NPC1 262/4885RAB9A 1174/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HPGD 1883/4885NPC1 262/4885RAB9A 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.

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