SCHEMBL3813384

SCHEMBL3813384

CC[C@H](C)[C@H](NC(=O)OCC(F)(F)F)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 1/20 0.40
ADRA1A P35348 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ENPEP Q07075 2/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CTSS P25774 3/20 0.38
CTSK P43235 2/20 0.38
PSENEN Q9NZ42 1/20 0.37
HTT P42858 1/20 0.37
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
TYR P14679 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL27762457 1.00 TSHR (0.40) TSHRLMNACYP3A4RAB9ANFKB1
SCHEMBL7771080 0.86 TSHR (0.40) TSHRLMNACYP3A4RAB9ANFKB1
SCHEMBL3806060 0.86 TSHR (0.40) TSHRLMNACYP3A4RAB9ANFKB1
SCHEMBL27922117 0.85 NOS3 (0.38) TSHRLMNACYP3A4RAB9ANFKB1
SCHEMBL7769348 0.80 TSHR (0.40) TSHRLMNACYP3A4RAB9ANFKB1
SCHEMBL3807501 0.79 HTT (0.42) TSHRLMNACYP3A4RAB9ANFKB1
SCHEMBL7766030 0.79 HTT (0.42) TSHRLMNACYP3A4RAB9ANFKB1
SCHEMBL13604074 0.79 TSHR (0.38) TSHRLMNACYP3A4RAB9ANFKB1
SCHEMBL12654464 0.79 ENPEP (0.44) LMNAENPEPNOS3NOS1NOS2
SCHEMBL20707063 0.79 ENPEP (0.44) LMNAENPEPNOS3NOS1NOS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281352-A1 PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVES HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATES FOR PRODUCTION OF THE DERIVATIVES MITSUI CHEMICALS, INC. (JP) 2009-11-12 US disclosed
US-20090281352-A1 PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVES HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATES FOR PRODUCTION OF THE DERIVATIVES MITSUI CHEMICALS, INC. (JP) 2009-11-12 US disclosed
EP-2008997-A1 PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVE HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATED FOR PRODUCTION OF THE DERIVATIVE Mitsui Chemicals, Inc. (JP) 2008-12-31 EP disclosed
EP-2008997-A1 PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVE HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATED FOR PRODUCTION OF THE DERIVATIVE Mitsui Chemicals, Inc. (JP) 2008-12-31 EP 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-20090281352-A1 PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVES HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATES FOR PRODUCTION OF THE DERIVATIVES ASNS, GLUL, NAAA TSHR 2086/4885LMNA 1180/4885CYP3A4 21/4885

“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.