SCHEMBL2290063

SCHEMBL2290063

O=C(NCCOc1ccc(F)cc1)ON=C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 3/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 1/20 0.41
XBP1 P17861 1/20 0.41
CACNA1B Q00975 1/20 0.41
CYP2C9 P11712 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
SCHEMBL2295994 0.86 LMNA (0.47) TSHRPKMLMNAGAAMAPT
SCHEMBL2295134 0.85 PKM (0.48) PKMLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL2295031 0.84 PKM (0.51) PKMLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL2292379 0.83 TSHR (0.50) TSHRTP53LMNAGAAMAPT
SCHEMBL2290352 0.83 SMN1; SMN2 (0.48) PKMLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL2298228 0.82 LMNA (0.47) PKMLMNAGAAMAPTALDH1A1
SCHEMBL2292202 0.79 MEN1 (0.50) TSHRTP53LMNAMAPTALDH1A1
SCHEMBL1676972 0.78 TP53 (0.53) TSHRTP53PKMLMNAMAPT
SCHEMBL2291043 0.78 CNR1 (0.53) LMNAGAAMAPTSMN1; SMN2HTT
SCHEMBL2291074 0.78 LMNA (0.53) TP53LMNAGAAMAPTALDH1A1

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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF CACNA1E, CACNA1B, CACNA1S TSHR 2852/4885TP53 3879/4885PKM 1843/4885

“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.