SCHEMBL2158208

SCHEMBL2158208

O=C(O)N1CC(C(=O)O)(c2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.57
KMT2A Q03164 3/20 0.50
TET3 O43151 1/20 0.50
FBXL19 Q6PCT2 1/20 0.50
CXXC5 Q7LFL8 1/20 0.50
TET1 Q8NFU7 1/20 0.50
KDM2B Q8NHM5 1/20 0.50
CXXC4 Q9H2H0 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
HSD11B1 P28845 3/20 0.49
MEN1 O00255 1/20 0.46
HDAC4 P56524 3/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL2158276 0.85 HSD11B1 (0.46) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL23779147 0.81 KMT2A (0.69) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL2158338 0.80 HSD11B1 (0.49) AKR1C1KMT2AHSD11B1MEN1HDAC4
SCHEMBL18269494 0.80 AKR1C1 (0.57) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL1669519 0.78 GRIN2B (0.44) AKR1C1KMT2AHSD11B1MEN1LMNA
SCHEMBL21582331 0.77 TSHR (0.52) AKR1C1TSHR
SCHEMBL18260026 0.77 TSHR (0.44) HSD11B1HDAC4TSHR
SCHEMBL6391 0.76 AKR1C1 (0.83) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL31016196 0.76 AKR1C1 (0.83) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL19331351 0.76 OPRM1 (0.42) AKR1C1KMT2AHSD11B1MEN1LMNA

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-8410137-B2 Thiophene-2-carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-04-02 US disclosed
US-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 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-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NR3C2, NR1H3, NR1H2 AKR1C1 414/4885KMT2A 2317/4885TET3 2567/4885

“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.