SCHEMBL15929140

SCHEMBL15929140

CCC(Cc1ccc(C(=O)Oc2ccc3cc([C@H](C)C(=O)Oc4ccc(C(N)=S)cc4)ccc3c2)cc1)O[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.38
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
PTGS1 P23219 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
PRSS1 P07477 1/20 0.34
ACR P10323 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL19341482 0.92 PTGS2 (0.38) PTGS2AKR1C3AKR1C2PTGS1LMNA
SCHEMBL19341481 0.91 PTGS2 (0.39) PTGS2AKR1C3AKR1C2PTGS1LMNA
SCHEMBL15929180 0.88 PTGS2 (0.36) PTGS2AKR1C3AKR1C2PTGS1LMNA
SCHEMBL15929129 0.85 AKR1C3 (0.45) PTGS2AKR1C3AKR1C2LMNAMAPT
SCHEMBL15929092 0.85 HDAC3 (0.44) PTGS2AKR1C3AKR1C2PTGS1LMNA
SCHEMBL19341473 0.83 PTGS2 (0.34) PTGS2AKR1C3AKR1C2PTGS1LMNA
SCHEMBL15929115 0.81 MAPT (0.40) LMNAMAPTKMT2A
SCHEMBL19341478 0.77 AKR1C3 (0.46) PTGS2AKR1C3AKR1C2PTGS1LMNA
SCHEMBL15929189 0.75 PTGS2 (0.48) PTGS2PTGS1MAPTKMT2A
SCHEMBL19341483 0.75 AKR1C3 (0.48) PTGS2AKR1C3AKR1C2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2017-09-14 US disclosed
US-9688607-B2 No- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-06-27 US disclosed
US-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 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 (2 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-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS PTGS1, NOS2, NOS1 PTGS2 4/4885AKR1C3 2456/4885AKR1C2 2270/4885
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 PTGS2 9/4885AKR1C3 2812/4885AKR1C2 2722/4885

“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.