SCHEMBL12414182

SCHEMBL12414182

Cc1cccc(CCC(=O)Nc2scc(-c3ccc(Cl)nc3)c2C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
ANO1 Q5XXA6 8/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
EPHB4 P54760 1/20 0.41
KDR P35968 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL12414181 0.90 CASP3 (0.53) CASP3SENP8SENP7SENP6ANO1
SCHEMBL2184231 0.90 ANO1 (0.47) ANO1MEN1KMT2ARAB9ANPC1
SCHEMBL12271083 0.89 ANO1 (0.58) CASP3SENP8SENP7SENP6ANO1
SCHEMBL12271436 0.85 CASP3 (0.67) CASP3SENP8SENP7SENP6ANO1
SCHEMBL12756809 0.84 HCAR2 (0.44) MEN1KMT2APOLBRAB9AKDR
SCHEMBL12414185 0.82 CASP3 (0.71) CASP3SENP8SENP7SENP6ANO1
SCHEMBL1950364 0.79 ANO1 (0.59) ANO1
SCHEMBL12271479 0.79 ANO1 (0.56) CASP3SENP8SENP7SENP6ANO1
SCHEMBL15241643 0.79 TP53 (0.46) CASP3SENP8SENP7SENP6ANO1
SCHEMBL1953704 0.79 ANO1 (0.59) ANO1

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-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-05 US disclosed
US-8372991-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-12 US disclosed
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-07-07 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-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CASP3 2232/4885SENP8 3756/4885SENP7 3940/4885
US-20110166159-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.