SCHEMBL12756308

SCHEMBL12756308

O=C(Nc1csc(-c2cc(F)c(F)c(F)c2)c1C(=O)O)c1nc2ccccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ RAB9A P51151 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SRPK1 Q96SB4 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SCD O00767 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ CHRNA7 P36544 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ POLB P06746 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
SCHEMBL12830134 0.92 FAAH (0.39) FAAHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12830013 0.89 RAB9A (0.41) FAAHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12756347 0.89 KMT2A (0.40) FAAHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12756330 0.86 MEN1 (0.45) FAAHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12756333 0.85 FAAH (0.39) FAAHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12830448 0.85 FAAH (0.40) FAAHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12830479 0.85 LMNA (0.40) FAAHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12830119 0.85 GRM4 (0.37) FAAHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12830017 0.84 KDM4E (0.45) FAAHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12831072 0.84 MAPT (0.40) FAAHMEN1KMT2ARAB9ASMN1; SMN2

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
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
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 FAAH 1909/4885MEN1 2958/4885KMT2A 4706/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 FAAH 1909/4885MEN1 2958/4885KMT2A 4706/4885

“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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