SCHEMBL12830474

SCHEMBL12830474

Cc1ccc(-c2scc(NC(=O)c3nc4ccccc4o3)c2C(=O)O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
RXFP1 Q9HBX9 1/20 0.39
AGPAT2 O15120 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GALK1 P51570 3/20 0.39
MAPT P10636 2/20 0.38
FAAH O00519 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
F12 P00748 1/20 0.37
TSHR P16473 1/20 0.37
APOBEC3A P31941 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PTGES O14684 1/20 0.36
DUSP1 P28562 1/20 0.36

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
SCHEMBL12756337 0.89 GRM2 (0.40) MEN1KMT2AGALK1MAPTFAAH
SCHEMBL12830470 0.89 KDM4E (0.42) TP53AGPAT2MEN1KMT2AGALK1
SCHEMBL12829829 0.87 MAPT (0.42) TP53MEN1KMT2AMAPTFAAH
SCHEMBL12830476 0.87 SRPK1 (0.43) TP53RXFP1AGPAT2MEN1KMT2A
SCHEMBL12829831 0.85 GALK1 (0.39) TP53AGPAT2MEN1KMT2AGALK1
SCHEMBL12830121 0.84 FAAH (0.38) TP53AGPAT2MEN1KMT2AGALK1
SCHEMBL12831072 0.84 MAPT (0.40) TP53MEN1KMT2AGALK1MAPT
SCHEMBL1953049 0.84 MEN1 (0.49) TP53AGPAT2MEN1KMT2ARAB9A
SCHEMBL1490278 0.84 NPC1 (0.41) TP53MEN1KMT2AMAPTFAAH
SCHEMBL12830131 0.84 FAAH (0.37) TP53AGPAT2MEN1KMT2AGALK1

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 TP53 2681/4885RXFP1 2109/4885AGPAT2 2325/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TP53 2681/4885RXFP1 2109/4885AGPAT2 2325/4885

“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.