SCHEMBL15480680

SCHEMBL15480680

O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2ccc(F)cc2o1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.44
ANO1 Q5XXA6 8/20 0.43
ANO2 Q9NQ90 1/20 0.43
THRB P10828 1/20 0.41
LRRK2 Q5S007 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
LMNA P02545 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GALK1 P51570 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL12831073 0.93 ANO1 (0.43) DHODHANO1ANO2THRBDAGLA
SCHEMBL12830017 0.86 KDM4E (0.45) ANO1
SCHEMBL12831071 0.86 MAPT (0.43) ANO1THRBLMNA
SCHEMBL12830946 0.86 THRB (0.40) DHODHANO1ANO2THRBLMNA
SCHEMBL1954005 0.83 ANO1 (0.64) ANO1ANO2
SCHEMBL12830947 0.83 ANO1 (0.45) DHODHANO1HDAC6KDR
SCHEMBL12756319 0.81 ANO1 (0.38) ANO1ANO2THRBDAGLA
SCHEMBL12756363 0.81 ANO1 (0.39) DHODHANO1ANO2THRB
SCHEMBL12830945 0.81 TP53 (0.45) DHODHANO1THRBLMNAHDAC6
SCHEMBL12831052 0.81 GALK1 (0.37) DHODHTHRBDAGLALMNAGALK1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 DHODH 2153/4885ANO1 114/4885ANO2 98/4885

“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.