SCHEMBL3498199

SCHEMBL3498199

CCC(C(=O)O)C1CN=C(c2cc3cc(OC(F)(F)F)cc(NS(=O)(=O)c4cccs4)c3[nH]2)S1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 7/20 0.35
AKT1 P31749 2/20 0.35
USP8 P40818 5/20 0.34
USP2 O75604 4/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GSK3B P49841 1/20 0.33
BRD4 O60885 1/20 0.33
HTT P42858 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
SCHEMBL3499992 0.86 NFKBIA (0.38) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3499064 0.86 NR1H3 (0.31) ALDH1A1LMNAHPGD
SCHEMBL13360131 0.85 SMN1; SMN2 (0.36) CNKSR1AKT1USP8USP2ALDH1A1
SCHEMBL2961426 0.85 CNKSR1 (0.35) CNKSR1AKT1USP8USP2MAPT
SCHEMBL13204571 0.83 CNKSR1 (0.39) CNKSR1AKT1USP8USP2ALDH1A1
SCHEMBL2967625 0.83 CNKSR1 (0.35) CNKSR1AKT1USP8USP2ALDH1A1
SCHEMBL13531777 0.82 SMN1; SMN2 (0.34) CNKSR1AKT1USP8USP2ALDH1A1
SCHEMBL12971413 0.77 SMN1; SMN2 (0.38) USP8USP2ALDH1A1MEN1KMT2A
SCHEMBL12971412 0.77 SMN1; SMN2 (0.38) USP8USP2ALDH1A1MEN1KMT2A
SCHEMBL3499094 0.76 LMNA (0.32) ALDH1A1LMNAMAPTHPGDHTT

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-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 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-20100144702-A1 INDOLE COMPOUND GCKR, GPR119, SLC5A1 CNKSR1 1143/4885AKT1 485/4885USP8 2532/4885

“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.