SCHEMBL3813381

SCHEMBL3813381

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
DPP7 Q9UHL4 5/20 0.34
DPP8 Q6V1X1 6/20 0.33
DPP4 P27487 5/20 0.33
DPP9 Q86TI2 3/20 0.33
TERT O14746 1/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
ADRA1A P35348 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL3813386 1.00 HTT (0.37) HTTDPP7DPP8DPP4DPP9
SCHEMBL27741933 0.86 HTT (0.40) HTTDPP7DPP8DPP4DPP9
SCHEMBL3806057 0.86 HTT (0.40) HTTDPP7DPP8DPP4DPP9
SCHEMBL3807499 0.82 HTT (0.42) HTTDPP4TSHRLMNACYP3A4
SCHEMBL27741943 0.82 HTT (0.42) HTTDPP4TSHRLMNACYP3A4
Hydrochloric Acid SCHEMBL8935168 0.79 HTT (0.47) HTTDPP7DPP8DPP4DPP9
SCHEMBL3805987 0.77 SCN9A (0.43) HTTAAK1
SCHEMBL11059855 0.76 CTSK (0.47) DPP8DPP4DPP9PSENEN
SCHEMBL13604074 0.73 TSHR (0.38) HTTTSHRLMNACYP3A4NFKB1
SCHEMBL3813384 0.73 TSHR (0.40) HTTTSHRLMNACYP3A4NFKB1

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-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

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 HTT 787/4885DPP7 190/4885DPP8 310/4885

“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.