SCHEMBL2599394

SCHEMBL2599394

CC(=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 1.00
PTPRC P08575 9/20 0.70
TTR P02766 1/20 0.56
CTSL P07711 2/20 0.51
PTPN13 Q12923 2/20 0.51
MAPT P10636 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAOA P21397 2/20 0.50
APAF1 O14727 2/20 0.50
THRB P10828 2/20 0.50
HTT P42858 2/20 0.50
GALK1 P51570 2/20 0.50
BLM P54132 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50

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
SCHEMBL6259661 0.96 S100A4 (0.93) S100A4PTPRCTTRCTSLPTPN13
SCHEMBL9423385 0.96 S100A4 (0.93) S100A4PTPRCTTRMAPTNPC1
SCHEMBL31268599 0.92 S100A4 (0.86) S100A4PTPRCTTRCTSLPTPN13
SCHEMBL8014885 0.92 S100A4 (0.86) S100A4PTPRCTTRCTSLPTPN13
SCHEMBL7741754 0.92 S100A4 (0.85) S100A4PTPRCTTRMAPTNPC1
SCHEMBL10881228 0.90 S100A4 (0.82) S100A4PTPRCTTRMAPTNPC1
Dimethylamine SCHEMBL7241455 0.87 S100A4 (0.77) S100A4PTPRCTTRCTSLPTPN13
SCHEMBL8033807 0.85 S100A4 (0.73) S100A4PTPRCMAPTNPC1RAB9A
SCHEMBL10947293 0.84 S100A4 (0.71) S100A4PTPRCTTRMAPTNPC1
SCHEMBL4074222 0.82 PTPRC (1.00) S100A4PTPRCTTRCTSLPTPN13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US claimed
WO-2011146101-A1 CHEMICAL AGENTS FOR THE PREVENTION OR INHIBITION OF TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-11-24 WO claimed
EP-1242363-B1 CD45 INHIBITORS ASTRAZENECA AB (SE) 2005-11-02 EP claimed
US-20030207812-A1 Cd45 inhibitors ASTRAZENECA AB (SE) 2003-11-06 US claimed
JP-2003518085-A 2003-06-03 JP claimed
EP-1242363-A2 CD45 INHIBITORS AstraZeneca AB (SE) 2002-09-25 EP claimed
WO-2001046125-A2 CD45 INHIBITORS ASTRAZENECA AB (SE) 2001-06-28 WO claimed
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US disclosed
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US disclosed
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US disclosed
WO-2011146101-A1 CHEMICAL AGENTS FOR THE PREVENTION OR INHIBITION OF TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-11-24 WO disclosed
WO-2011146101-A1 CHEMICAL AGENTS FOR THE PREVENTION OR INHIBITION OF TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-11-24 WO disclosed
EP-1242363-B1 CD45 INHIBITORS ASTRAZENECA AB (SE) 2005-11-02 EP disclosed
US-20030207812-A1 Cd45 inhibitors ASTRAZENECA AB (SE) 2003-11-06 US disclosed
EP-1242363-A2 CD45 INHIBITORS AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001046125-A2 CD45 INHIBITORS ASTRAZENECA AB (SE) 2001-06-28 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 (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-20030207812-A1 Cd45 inhibitors CD74, CD2, PTPRC S100A4 2288/4885PTPRC 3/4885TTR 298/4885
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS S100A4, S100A6, S100A10 S100A4 1/4885PTPRC 507/4885TTR 1058/4885

“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.