SCHEMBL12640076

SCHEMBL12640076

CCc1cc2c(o1)C(=O)c1cc(Cl)ccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ STAT3 P40763 2/20 0.39
▸ PPOX P50336 1/20 0.35
▸ ITGA1 P56199 1/20 0.35
▸ USP8 P40818 2/20 0.33
▸ USP7 Q93009 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL13924801 0.87 S100A4 (0.42) S100A4HSP90AA1ALDH1A1NPC1RAB9A
SCHEMBL29362087 0.82 ALDH1A1 (0.56) S100A4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1885714 0.82 ALDH1A1 (0.56) S100A4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12640078 0.82 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1882564 0.76 STAT3 (0.69) S100A4HSP90AA1ALDH1A1NPC1RAB9A
SCHEMBL29365255 0.76 STAT3 (0.69) S100A4HSP90AA1ALDH1A1NPC1RAB9A
SCHEMBL45598 0.76 S100A4 (0.46) S100A4HSP90AA1ALDH1A1STAT3PPOX
SCHEMBL4229683 0.74 S100A4 (0.80) S100A4HSP90AA1ALDH1A1NPC1RAB9A
SCHEMBL353693 0.74 S100A4 (0.80) S100A4HSP90AA1ALDH1A1NPC1RAB9A
SCHEMBL45824 0.74 S100A4 (0.43) S100A4HSP90AA1ALDH1A1MAPK1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851075-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-12-01 — — US disclosed
US-20190263768-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. 2019-08-29 — — US disclosed
EP-3058941-B1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL INC (US) 2019-05-22 — — EP disclosed
US-9834532-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2017-12-05 — — US disclosed
US-9834532-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2017-12-05 — — US disclosed
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL INC (US) 2017-07-13 — — US disclosed
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL INC (US) 2017-07-13 — — US disclosed
US-8877803-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2014-11-04 — — US disclosed
US-8877803-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2014-11-04 — — US disclosed
US-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2011-05-12 — — US disclosed
US-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2011-05-12 — — 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 (4 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-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, STAT5B S100A4 3279/4885HSP90AA1 910/4885ALDH1A1 630/4885
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, JAK2 S100A4 3330/4885HSP90AA1 832/4885ALDH1A1 677/4885
US-10851075-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors STAT3, STAT1, JAK2 S100A4 3540/4885HSP90AA1 830/4885ALDH1A1 545/4885
US-20190263768-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, STAT5B S100A4 3279/4885HSP90AA1 910/4885ALDH1A1 630/4885

“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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