SCHEMBL13873196

SCHEMBL13873196

CC(C)(C)NC(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
HTR2A P28223 6/20 0.49
KCNH2 Q12809 4/20 0.49
HTR2C P28335 3/20 0.49
SPR P35270 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
RORC P51449 1/20 0.46
CTSS P25774 1/20 0.44
WNT3 P56703 1/20 0.44
SFRP1 Q8N474 1/20 0.44
ELOVL6 Q9H5J4 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RBP4 P02753 1/20 0.42
DRD2 P14416 1/20 0.42
PKM P14618 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
SCHEMBL13873198 0.92 LMNA (0.47) LMNAHTR2AKCNH2HTR2CSPR
SCHEMBL14227531 0.82 HTR2A (0.51) LMNAHTR2AKCNH2HTR2CSPR
SCHEMBL17689403 0.80 HTR2A (0.55) HTR2AKCNH2HTR2CSPRDRD2
SCHEMBL27917812 0.79 HTR2A (0.58) HTR2AKCNH2HTR2CSPRSMN1; SMN2
SCHEMBL13947675 0.78 GPR119 (0.59) PKM
SCHEMBL14413086 0.77 HTR2A (0.55) HTR2AKCNH2HTR2CSPRSMN1; SMN2
SCHEMBL14242442 0.76 BLM (0.55) HTR2AKCNH2HTR2CSPRSMN1; SMN2
SCHEMBL13873506 0.75 HTR2A (0.62) HTR2AKCNH2HTR2C
SCHEMBL13873709 0.75 TAAR1 (0.49) LMNAHTR2AKCNH2HTR2CSPR
SCHEMBL13873193 0.75 ALDH1A1 (0.55) LMNAWNT3SFRP1

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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 LMNA 3647/4885HTR2A 4228/4885KCNH2 3327/4885

“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.