SCHEMBL6284647

SCHEMBL6284647

CCOC(=O)CC(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
VCAM1 P19320 2/20 0.56
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 2/20 0.52
RAF1 P04049 1/20 0.52
GFER P55789 1/20 0.52
PAX8 Q06710 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 3/20 0.51
AGTR1 P30556 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HSP90AA1 P07900 1/20 0.50
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
BRAF P15056 1/20 0.50
MEN1 O00255 1/20 0.49

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
SCHEMBL742381 0.90 ALDH1A1 (0.55) LMNAALDH1A1MAPTHPGDMAPK1
SCHEMBL2889646 0.84 TSHR (0.57) LMNAALDH1A1MAPTHPGDMAPK1
SCHEMBL260606 0.83 KMT2A (0.64) LMNAVCAM1ALDH1A1MAPTHPGD
SCHEMBL5666711 0.82 LMNA (0.46) LMNAALDH1A1MAPTHPGDMAPK1
SCHEMBL10916044 0.82 VCAM1 (0.64) LMNAVCAM1ALDH1A1MAPTHPGD
SCHEMBL12429089 0.82 VCAM1 (0.68) LMNAVCAM1ALDH1A1MAPTHPGD
SCHEMBL31299787 0.82 KDM4E (0.51) ALDH1A1MAPTHPGDMAPK1KMT2A
SCHEMBL1348885 0.82 KDM4E (0.51) ALDH1A1MAPTHPGDMAPK1KMT2A
SCHEMBL275672 0.82 LMNA (0.50) LMNAALDH1A1MAPTHPGDMAPK1
SCHEMBL730927 0.81 VCAM1 (0.59) LMNAVCAM1ALDH1A1MAPTHPGD

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-6962935-B2 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors PRUITT JAMES RUSSELL (US) 2004-04-15 US disclosed
US-6569874-B1 Such as 2-acetylamino-4-(3-amidinophenyl)-5-((2'-amino-sulfonyl-(1,1')-biphen-4 -yl)aminocarbonyl)thiazole; for treatment of thromboembolic disorders BRISTOL-MYERS SQUIBB COMPANY 2003-05-27 US disclosed
EP-0946528-B1 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-04-09 EP disclosed
US-6187797-B1 ANTICOAGULANTS; TRYPSINE-LIKE SERINE PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY 2001-02-13 US disclosed
EP-0946528-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028282-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO 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-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors F12, XDH, F2 LMNA 3533/4885VCAM1 1271/4885ALDH1A1 596/4885

“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.