SCHEMBL2004145

SCHEMBL2004145

O=C(CCCc1ccccc1)Nc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.66
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
POLB P06746 1/20 0.60
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HDAC1 Q13547 4/20 0.58
HDAC3 O15379 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
MAPT P10636 2/20 0.56

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
SCHEMBL1993952 0.92 GAA (0.66) TRPV1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12359422 0.85 NPC1 (0.66) TRPV1NPC1RAB9APOLBNFKB1
SCHEMBL13593266 0.84 KMT2A (0.61) NPC1POLBALDH1A1KMT2APKM
SCHEMBL1130032 0.83 KMT2A (0.61) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8748442 0.82 KMT2A (0.60) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1592769 0.82 ALDH1A1 (0.69) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL6871952 0.81 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL29614981 0.81 MAPT (0.66) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1593166 0.81 ALDH1A1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL8748189 0.80 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210121427-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H LEE MOFFITT CANCER CT & RES (US) 2021-04-29 US disclosed
US-20210121427-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H LEE MOFFITT CANCER CT & RES (US) 2021-04-29 US disclosed
US-10806712-B2 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-20 US disclosed
US-10806712-B2 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-20 US disclosed
US-20190192461-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H LEE MOFFITT CANCER CT & RES (US) 2019-06-27 US disclosed
US-20190192461-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H LEE MOFFITT CANCER CT & RES (US) 2019-06-27 US disclosed
US-10226439-B2 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-03-12 US disclosed
US-10226439-B2 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-03-12 US disclosed
US-20170202795-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H LEE MOFFITT CANCER CT & RES (US) 2017-07-20 US disclosed
US-20170202795-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H LEE MOFFITT CANCER CT & RES (US) 2017-07-20 US disclosed
US-9604923-B2 Small molecule inhibitors of STAT3 with anti-tumor activity H.LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-03-28 US disclosed
US-20140329900-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-11-06 US disclosed
US-20140329900-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-11-06 US disclosed
US-20140329900-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-11-06 US disclosed
US-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 US disclosed
US-7960434-B2 Small molecule inhibitors of STAT3 with anti-tumor activity UNIVERSITY OF SOUTH FLORIDA (US) 2011-06-14 US disclosed
US-7960434-B2 Small molecule inhibitors of STAT3 with anti-tumor activity UNIVERSITY OF SOUTH FLORIDA (US) 2011-06-14 US disclosed
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2009-03-12 US disclosed
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2009-03-12 US disclosed
WO-2007136858-A2 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2007-11-29 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 (8 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-20170202795-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A TRPV1 3363/4885NPC1 904/4885RAB9A 2823/4885
US-20210121427-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A TRPV1 3363/4885NPC1 904/4885RAB9A 2823/4885
US-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity STAT3, STAT1, STAT5A TRPV1 3363/4885NPC1 904/4885RAB9A 2823/4885
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A TRPV1 3363/4885NPC1 904/4885RAB9A 2823/4885
US-20140329900-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, JAK2 TRPV1 3438/4885NPC1 862/4885RAB9A 2840/4885
US-20190192461-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A TRPV1 3363/4885NPC1 904/4885RAB9A 2823/4885
US-10226439-B2 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A TRPV1 3363/4885NPC1 904/4885RAB9A 2823/4885
US-10806712-B2 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A TRPV1 3363/4885NPC1 904/4885RAB9A 2823/4885

“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.