SCHEMBL3031981

SCHEMBL3031981

CCc1cccc(CC)c1Nc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 3/20 0.64
▸ CTSL P07711 3/20 0.64
▸ MAPT P10636 7/20 0.62
▸ KMT2A Q03164 5/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ CLCN2 P51788 1/20 0.60
▸ MYC P01106 1/20 0.57
▸ MAX P61244 1/20 0.57
▸ PLA2G1B P04054 1/20 0.57
▸ ATG4B Q9Y4P1 1/20 0.57
▸ GAA P10253 1/20 0.56
▸ AKR1C3 P42330 3/20 0.56
▸ AKR1C2 P52895 3/20 0.56
▸ AKR1C4 P17516 1/20 0.56
▸ AKR1C1 Q04828 1/20 0.56
▸ NPC1 O15118 1/20 0.52
▸ TRPA1 O75762 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52

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
SCHEMBL3026633 0.87 CTSV (0.67) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL9463730 0.81 MYC (0.63) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL3020950 0.81 MAPT (0.72) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL3031833 0.80 CTSV (0.71) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL354532 0.78 CTSV (1.00) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL22720195 0.78 CTSV (0.78) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL4211532 0.78 KMT2A (0.72) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL6589180 0.77 HTT (0.63) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL3034237 0.77 KMT2A (0.66) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL22720188 0.77 MAPT (0.74) CTSVCTSLMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2010-08-19 — — US disclosed
US-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2010-08-19 — — US disclosed
US-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2010-08-19 — — US disclosed
EP-2129653-A2 NOVEL P2Y12 RECEPTOR ANTAGONISTS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2009-12-09 — — EP disclosed
WO-2008107211-A2 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2008-09-12 — — WO disclosed
WO-2008107211-A2 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2008-09-12 — — WO disclosed
EP-1967513-A1 Novel P2Y12 receptor antagonists Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2008-09-10 — — EP 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-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY11, P2RY13 CTSV 4711/4885CTSL 3569/4885MAPT 4617/4885

“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.

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