SCHEMBL13014504

SCHEMBL13014504

CNC(=S)NC(=O)CC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.41
▸ MGAM O43451 1/20 0.41
▸ SI P14410 1/20 0.41
▸ MGAM2 Q2M2H8 1/20 0.41
▸ TSHR P16473 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.33
▸ LMNA P02545 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL3927375 0.76 — —
SCHEMBL10203657 0.75 — —
SCHEMBL14534351 0.70 MGAM (0.46) GAAMGAMSIMGAM2TSHR
SCHEMBL3441102 0.66 MGAM (0.69) GAAMGAMSIMGAM2TSHR
SCHEMBL53913 0.66 — —
SCHEMBL10394064 0.66 — —
SCHEMBL445515 0.66 — —
SCHEMBL17813823 0.66 — —
SCHEMBL18591543 0.65 MAPT (0.42) GAAMGAMSIMGAM2MAPT
SCHEMBL3077330 0.64 — —

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-8778974-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 — — US disclosed
US-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — 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-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES CHRNA1, CHRNA5, CHRNE GAA 3536/4885MGAM 4343/4885SI 4540/4885

“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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