SCHEMBL13856751

SCHEMBL13856751

C=CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCN(C)C3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 1.00
▸ MAPT P10636 7/20 1.00
▸ KDM4E B2RXH2 7/20 1.00
▸ HPGD P15428 3/20 1.00
▸ RECQL P46063 2/20 1.00
▸ NR4A1 P22736 1/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ MEN1 O00255 8/20 0.66
▸ KMT2A Q03164 8/20 0.66
▸ MAPK1 P28482 4/20 0.66
▸ HSD17B10 Q99714 2/20 0.66
▸ TSHR P16473 2/20 0.66
▸ HIF1A Q16665 1/20 0.66
▸ GLA P06280 1/20 0.66
▸ ALOX15 P16050 1/20 0.66
▸ CASP1 P29466 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66
▸ GAA P10253 3/20 0.63
▸ BLM P54132 1/20 0.63
▸ L3MBTL1 Q9Y468 3/20 0.60

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
SCHEMBL3914163 0.87 ALDH1A1 (0.77) ALDH1A1MAPTKDM4EHPGDRECQL
SCHEMBL19079697 0.79 TSHR (0.81) ALDH1A1MAPTKDM4EHPGDRECQL
SCHEMBL14977955 0.78 KDM4E (0.63) ALDH1A1MAPTKDM4EHPGDRECQL
SCHEMBL19079782 0.75 TSHR (0.73) ALDH1A1MAPTKDM4ERECQLNR4A1
SCHEMBL19079668 0.74 TSHR (0.68) ALDH1A1MAPTKDM4EHPGDRECQL
SCHEMBL19090635 0.74 TSHR (0.67) ALDH1A1MAPTKDM4EHPGDRECQL
SCHEMBL19079672 0.73 TSHR (1.00) ALDH1A1MAPTKDM4EHPGDRECQL
SCHEMBL19079821 0.73 TSHR (0.67) ALDH1A1MAPTKDM4EHPGDRECQL
SCHEMBL19079781 0.72 MAPT (0.79) ALDH1A1MAPTKDM4EHPGDRECQL
SCHEMBL19079712 0.72 TSHR (0.73) ALDH1A1MAPTKDM4EHPGDRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 — — US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 — — 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 (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-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD ALDH1A1 3724/4885MAPT 3866/4885KDM4E 3373/4885

“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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