SCHEMBL7521166

SCHEMBL7521166

O=C(O)COc1cccc2c1CC(SCc1ccccc1)c1sc(-c3ccc([N+](=O)[O-])cc3)nc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.42
PPARD Q03181 1/20 0.38
APP P05067 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
MAPT P10636 7/20 0.36
LMNA P02545 4/20 0.36
AKR1B1 P15121 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.35
CYP19A1 P11511 3/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7523182 0.89 PTGDR2 (0.41) PTGDR2PPARD
SCHEMBL7524434 0.88 TP53 (0.41) PTGDR2PPARDMAPTALDH1A1
SCHEMBL7518610 0.88 PTGIR (0.41) PTGDR2PPARDLMNAALDH1A1
SCHEMBL7520993 0.87 PTGDR2 (0.43) PTGDR2PPARD
SCHEMBL7527946 0.87 PPARD (0.39) PTGDR2PPARD
SCHEMBL7521474 0.86 PTGDR2 (0.39) PTGDR2PPARDMEN1KMT2A
SCHEMBL7976490 0.85 ALDH1A1 (0.36) PPARDAPPMMP2MMP9MMP8
SCHEMBL7523911 0.85 PTGIR (0.39) PPARDMAPT
SCHEMBL7526347 0.85 PTGIR (0.43) PTGDR2PPARDMAPTALDH1A1MEN1
SCHEMBL7555841 0.85 PTGIR (0.43) PTGDR2PPARDSMN1; SMN2

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-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR PTGDR2 10/4885PPARD 942/4885APP 4236/4885

“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.