SCHEMBL12830419

SCHEMBL12830419

Cc1ccc(-c2scc(NC(=O)c3nc4c(F)cccc4s3)c2C(=O)O)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ GAA P10253 3/20 0.37
▸ PKM P14618 3/20 0.37
▸ MEN1 O00255 7/20 0.36
▸ KMT2A Q03164 7/20 0.36
▸ NPC1 O15118 6/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ LMNA P02545 3/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 4/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ BLM P54132 1/20 0.33

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
SCHEMBL12830018 0.87 LMNA (0.48) PKMMEN1KMT2ANPC1RAB9A
SCHEMBL1952279 0.85 MEN1 (0.48) CASP3SENP8SENP7SENP6PKM
SCHEMBL12830418 0.81 CASP3 (0.41) CASP3SENP8SENP7SENP6GAA
SCHEMBL12756305 0.81 DAGLA (0.36) GAAPKMMEN1KMT2ANPC1
SCHEMBL12756369 0.78 KDM4E (0.34) PKMMEN1KMT2ANPC1RAB9A
SCHEMBL12830730 0.77 MEN1 (0.33) MEN1KMT2ANPC1NTRK1
SCHEMBL12830025 0.76 NPC1 (0.47) CASP3SENP8SENP7SENP6PKM
SCHEMBL1490266 0.75 HDAC1 (0.47) CASP3SENP8SENP7SENP6PKM
SCHEMBL12756620 0.75 NTRK1 (0.36) MEN1KMT2ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12756868 0.75 NPC1 (0.38) GAAMEN1KMT2ANPC1RAB9A

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
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO 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 CASP3 2232/4885SENP8 3756/4885SENP7 3940/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CASP3 2232/4885SENP8 3756/4885SENP7 3940/4885

“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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