SCHEMBL136733

SCHEMBL136733

O=C(OCc1ccccc1)C1NCCS1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BACE1 P56817 1/20 0.42
HTR2C P28335 1/20 0.42
FAAH O00519 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL22019555 0.78 TSHR (0.50) GLATSHRFABP7FABP5ALDH1A1
Hydrochloric Acid SCHEMBL204285 0.78 NPC1 (0.46) GLAHTR2CFAAHNPC1RAB9A
SCHEMBL8534632 0.76 ALDH1A1 (0.50) TSHRFABP7FABP5ALDH1A1MAPK1
SCHEMBL23762121 0.75 TSHR (0.44) GLATSHRFABP7FABP5ALDH1A1
SCHEMBL20418703 0.75 TSHR (0.59) GLATSHRFABP7FABP5ALDH1A1
SCHEMBL629930 0.75 TSHR (0.59) GLATSHRFABP7FABP5ALDH1A1
SCHEMBL15251729 0.75 TSHR (0.59) GLATSHRFABP7FABP5ALDH1A1
SCHEMBL30223512 0.75 FABP5 (0.48) TSHRFABP7FABP5KMT2A
SCHEMBL6259204 0.74 TSHR (0.58) GLATSHRFABP7FABP5ALDH1A1
SCHEMBL4877662 0.74 TSHR (0.58) GLATSHRFABP7FABP5ALDH1A1

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-8343971-B2 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-01-01 US disclosed
US-20120059007-A1 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-03-08 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-20120059007-A1 Pharmacologically-active vanilloid carbamates FAAH, FAAH2, TRPV1 GLA 1143/4885TSHR 3102/4885FABP7 288/4885

“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.