SCHEMBL952398

SCHEMBL952398

CCO/C(C)=N/OCCCCBr

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.35
ESR1 P03372 1/20 0.32
TRPA1 O75762 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL952400 1.00 TBXAS1 (0.35) TBXAS1ESR1TRPA1ALDH1A1
SCHEMBL6627009 0.94 ALDH1A1 (0.31) TBXAS1TRPA1ALDH1A1
SCHEMBL6627005 0.94 ALDH1A1 (0.31) TBXAS1TRPA1ALDH1A1
SCHEMBL3121426 0.86 ALDH1A1 (0.33) TRPA1ALDH1A1
SCHEMBL8425276 0.86 ALDH1A1 (0.33) TRPA1ALDH1A1
SCHEMBL3121422 0.86 ALDH1A1 (0.33) TRPA1ALDH1A1
SCHEMBL9099555 0.81 CYP1A2 (0.38) TBXAS1ALDH1A1
SCHEMBL8509399 0.81 CYP1A2 (0.38) TBXAS1ALDH1A1
SCHEMBL17337617 0.80 DGKA (0.47) TBXAS1ALDH1A1
SCHEMBL17337618 0.80 DGKA (0.47) TBXAS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637485-B2 5′,-substituted adenosynes preparation thereof and use as inhibitors of S-adenosylmethionine decarboxylase SOUTHERN RESEARCH INSTITUTE (US) 2014-01-28 US disclosed
EP-2574616-A2 5'-substituted adenosynes, preparation thereof and use as inhibitors of s-adenosylmethionine decarboxylase. Southern Research Institute (US) 2013-04-03 EP disclosed
US-20110009354-A1 5',-SUBSTITUTED ADENOSYNES PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US disclosed
EP-2170057-A1 5'-SUBSTITUTED ADENOSYNES, PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE Southern Research Institute (US) 2010-04-07 EP disclosed
WO-2009018541-A1 5'-SUBSTITUTED ADENOSYNES, PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE SOUTHERN RESEARCH INSTITUTE (US) 2009-02-05 WO disclosed
EP-0889042-B1 RADICICOL DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2004-05-06 EP disclosed
US-20040053990-A1 Radicicol derivatives KYOWA HAKKO KOGYO CO., LTD (JP) 2004-03-18 US disclosed
US-6635662-B2 A 2-oxime derivative; antitumor and -carcinogenic agents; immunosuppressents; osteoporosis; enzyme inhibitors of tyrosine kinase activity KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-21 US disclosed
US-6316491-B1 INHIBITORS OF TYROSINE KINASE USED AS ANTITUMOR OR IMMUNOSUPPRESSION AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-11-13 US disclosed
US-20010027208-A1 Radicicol derivatives INO YOJI (JP) 2001-10-04 US disclosed
US-6239168-B1 ANTITUMOR AGENTS, IMMUNOSUPPRESSANTS; TYROSINE KINASE INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-05-29 US disclosed
EP-0889042-A1 RADICICOL DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-01-07 EP 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-20040053990-A1 Radicicol derivatives ROS1, LYN, SRC TBXAS1 2656/4885ESR1 1350/4885TRPA1 2475/4885
US-20110009354-A1 5',-SUBSTITUTED ADENOSYNES PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE AMD1, ADA, MTAP TBXAS1 3035/4885ESR1 2570/4885TRPA1 4882/4885
US-20010027208-A1 Radicicol derivatives ROS1, LYN, SRC TBXAS1 2605/4885ESR1 1329/4885TRPA1 2446/4885

“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.