SCHEMBL2158338

SCHEMBL2158338

COC(=O)C1(c2ccccc2)CN(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HDAC4 P56524 2/20 0.45
HTT P42858 1/20 0.44
KCNA3 P22001 1/20 0.43
OPRM1 P35372 6/20 0.42
OPRD1 P41143 4/20 0.42
OPRK1 P41145 4/20 0.42
ADRA1A P35348 3/20 0.42
SLC22A1 O15245 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
AKR1C1 Q04828 1/20 0.41
ADRA1D P25100 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL18260026 0.83 TSHR (0.44) HSD11B1HDAC4OPRM1OPRD1OPRK1
SCHEMBL5376177 0.81 HDAC4 (0.62) HSD11B1MEN1KMT2AHDAC4HTT
SCHEMBL2158208 0.80 AKR1C1 (0.57) HSD11B1MEN1KMT2AHDAC4HTT
SCHEMBL349195 0.80 MEN1 (0.56) HSD11B1MEN1KMT2AHDAC4HTT
SCHEMBL18204347 0.80 SMN1; SMN2 (0.50) HSD11B1MEN1KMT2AHTTOPRD1
SCHEMBL26637780 0.78 GAA (0.49) HSD11B1MEN1KMT2AKCNA3OPRM1
SCHEMBL973774 0.78 HSD11B1 (0.56) HSD11B1MEN1KMT2AKCNA3OPRM1
SCHEMBL2481767 0.77 AKR1C1 (0.58) HSD11B1MEN1KMT2AHDAC4HTT
SCHEMBL1041983 0.77 AKR1C1 (0.63) HSD11B1MEN1KMT2AHDAC4HTT
Iodomethane SCHEMBL3898463 0.77 MEN1 (0.53) HSD11B1MEN1KMT2AHDAC4HTT

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 HSD11B1 274/4885MEN1 4467/4885KMT2A 2317/4885

“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.