SCHEMBL5235403

SCHEMBL5235403

COC(=O)Nc1ccc(OC(=O)OC)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.66
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
HPGD P15428 2/20 0.61
ALDH1A1 P00352 4/20 0.54
RAB9A P51151 4/20 0.54
MAPT P10636 4/20 0.54
NPC1 O15118 3/20 0.54
GAA P10253 3/20 0.54
HTT P42858 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 2/20 0.49
THRB P10828 2/20 0.49
GFER P55789 2/20 0.49

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
SCHEMBL3676589 0.85 SMN1; SMN2 (0.66) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL9609808 0.83 SMN1; SMN2 (0.82) SMN1; SMN2KMT2AHPGDALDH1A1RAB9A
SCHEMBL676909 0.83 KMT2A (0.58) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL12893240 0.83 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL2089394 0.82 SMN1; SMN2 (0.73) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL11773292 0.82 SMN1; SMN2 (0.85) SMN1; SMN2HPGDALDH1A1RAB9AMAPT
SCHEMBL10780962 0.81 ALDH1A1 (0.81) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL16677948 0.80 NPC1 (0.59) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A
SCHEMBL18814226 0.79 SMN1; SMN2 (1.00) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL2095026 0.79 GLA (0.69) SMN1; SMN2MEN1KMT2AHPGDALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347979-B1 INDOLE DERIVATIVES AND THEIR USE AS 5-HT2B AND 5-HT2C RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2007-08-08 EP disclosed
EP-1347979-A1 INDOLE DERIVATIVES AND THEIR USE AS 5-HT2B AND 5-HT2C RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-01 EP disclosed
US-6610685-B2 (S)-2-(6-ethoxy-2,3-dihydro-1H-3a-aza-cyclopenta(a)inden-8-yl)-1-methyl-ethylamine for example; treating diabetes; in combination with a lipase inhibitor such as orlistat HOFFMANN-LA ROCHE INC. 2003-08-26 US disclosed
US-20020160997-A1 (S)-2-(6-ethoxy-2,3-dihydro-1H-3a-aza-cyclopenta(a)inden-8-yl)-1-methyl-ethylamine for example; treating diabetes; in combination with a lipase inhibitor such as orlistat F.HOFFANN-LA ROCHE AG (CH) 2002-10-31 US disclosed
WO-2002051844-A1 INDOLE DERIVATIVES AND THEIR USE AS 5-HT2B AND 5-HT2C RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-04 WO 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-20020160997-A1 (S)-2-(6-ethoxy-2,3-dihydro-1H-3a-aza-cyclopenta(a)inden-8-yl)-1-methyl-ethylamine for example; treating diabetes; in combination with a lipase inhibitor such as orlistat PNLIP, LIPA, LPL SMN1; SMN2 713/4885MEN1 4082/4885KMT2A 190/4885

“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.