SCHEMBL101664

SCHEMBL101664

COc1cc(COC(=O)N2CCCC2=S)ccc1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 4/20 0.43
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.40
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
LTA4H P09960 1/20 0.39
NR3C1 P04150 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL101821 0.83 ALDH1A1 (0.53) PTGS1LMNAALDH1A1TSHRPOLB
SCHEMBL102698 0.76 PTGS1 (0.53) PTGS1ALDH1A1TSHRPOLBLTA4H
SCHEMBL7429283 0.73 NPC1 (0.59) ALDH1A1MEN1KMT2A
SCHEMBL511341 0.72 ALDH1A1 (0.57) LMNAALDH1A1POLBBCL9CTNNB1
SCHEMBL6481775 0.70 ALDH1A1 (0.56) PTGS1LMNAALDH1A1HPGDMEN1
SCHEMBL17253651 0.70 CYP3A4 (0.53) PTGS1ALDH1A1TSHR
SCHEMBL102366 0.70 PTGS1 (0.54) PTGS1ALDH1A1TSHRLTA4HNR3C1
SCHEMBL102353 0.70 MEN1 (0.63) PTGS1ALDH1A1POLBHPGDMEN1
SCHEMBL5133639 0.69 PTGS1 (0.68) PTGS1LMNAALDH1A1TSHRLTA4H
SCHEMBL101653 0.69 PTGS1 (0.68) PTGS1ALDH1A1TSHRPOLBLTA4H

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 PTGS1 74/4885LMNA 4344/4885ALDH1A1 2053/4885

“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.