SCHEMBL478915

SCHEMBL478915

CCOP(=O)(Cc1cccc(N)c1)OCC

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 9/20 0.56
CDK9 P50750 9/20 0.56
HDAC1 Q13547 2/20 0.45
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CYP19A1 P11511 1/20 0.41
NPY5R Q15761 1/20 0.39

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
SCHEMBL3390402 0.88 CCNT1 (0.46) CCNT1CDK9HDAC1NPY5R
SCHEMBL5301923 0.83 POLB (0.45) CCNT1CDK9HDAC1NPY5R
SCHEMBL1831290 0.81 IDO1 (0.44) CCNT1CDK9HDAC1
SCHEMBL29427115 0.81 IDO1 (0.44) CCNT1CDK9HDAC1
SCHEMBL9445966 0.81 TAAR1 (0.46) CCNT1CDK9HDAC1
SCHEMBL1759923 0.80 IDO1 (0.43) CCNT1CDK9HDAC1NPY5R
SCHEMBL9502876 0.80 CCNT1 (0.42) CCNT1CDK9HDAC1NPY5R
SCHEMBL1307260 0.80 IDO1 (0.43) CCNT1CDK9HDAC1MAOB
SCHEMBL1305912 0.80 CYP3A4 (0.43) CCNT1CDK9HDAC1TP53CYP3A4
SCHEMBL29938481 0.80 IDO1 (0.43) CCNT1CDK9HDAC1MAOBNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954258-B2 STAT3 dimerization inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-03-23 US disclosed
US-10954258-B2 STAT3 dimerization inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-03-23 US disclosed
US-20200199160-A1 STAT3 DIMERIZATION INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2020-06-25 US disclosed
US-20200199160-A1 STAT3 DIMERIZATION INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2020-06-25 US disclosed
US-20180179235-A1 STAT3 DIMERIZATION INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-06-28 US disclosed
US-20180179235-A1 STAT3 DIMERIZATION INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-06-28 US disclosed
US-20180179235-A1 STAT3 DIMERIZATION INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-06-28 US disclosed
US-9822135-B2 STAT3 dimerization inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-11-21 US disclosed
US-9822135-B2 STAT3 dimerization inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-11-21 US disclosed
US-9822135-B2 STAT3 dimerization inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-11-21 US disclosed
CN-101074242-A Cells accumulation for sphosphonate analogs of HIV protease inhibitor compound and the same compound GILEAD SCIENCES INC (US) 2007-11-21 CN disclosed
CN-1313472-C Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2007-05-02 CN disclosed
CN-1649885-A Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2005-08-03 CN disclosed
EP-0769015-B1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-03-14 EP disclosed
US-5770615-A Catecholamine surrogates useful as β3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-23 US disclosed
US-5716944-A USEFUL AS PROPHYLACTIC AND THERAPEUTIC AGENTS OF VARIOUS METABOLIC BONE DISEASES SUCH AS OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
WO-1997037646-A1 CATECHOLAMINE SURROGATES USEFUL AS β3 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-10-16 WO disclosed
CN-1151744-A Phosphonic acid compounds, their prodn. and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-06-11 CN disclosed
EP-0769015-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-23 EP disclosed
WO-1996001267-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-18 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 (3 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-20200199160-A1 STAT3 DIMERIZATION INHIBITORS STAT3, JAK2, STAT1 CCNT1 2398/4885CDK9 228/4885HDAC1 319/4885
US-20180179235-A1 STAT3 DIMERIZATION INHIBITORS STAT3, JAK2, STAT1 CCNT1 2398/4885CDK9 228/4885HDAC1 319/4885
US-10954258-B2 STAT3 dimerization inhibitors STAT3, JAK2, STAT1 CCNT1 2398/4885CDK9 228/4885HDAC1 319/4885

“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.