SCHEMBL2729477

SCHEMBL2729477

C/C(=C/C=C(/C)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.55
FFAR3 O14843 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
AKR1C3 P42330 1/20 0.42
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 1/20 0.33
TRPA1 O75762 1/20 0.33
THPO P40225 1/20 0.33
APEX1 P27695 4/20 0.32
ALOX15 P16050 2/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.31
CYP2C9 P11712 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL3791596 1.00 PTGS1 (0.55) PTGS1FFAR3LCKFYNAKR1C3
SCHEMBL1900173 1.00 PTGS1 (0.55) PTGS1FFAR3LCKFYNAKR1C3
SCHEMBL27727592 0.90 PTGS1 (0.48) PTGS1FFAR3LCKFYNAKR1C3
SCHEMBL8144491 0.90 PTGS1 (0.48) PTGS1FFAR3LCKFYNAKR1C3
SCHEMBL3235657 0.90 PTGS1 (0.48) PTGS1FFAR3LCKFYNAKR1C3
SCHEMBL15449455 0.90 PTGS1 (0.48) PTGS1FFAR3LCKFYNAKR1C3
SCHEMBL346616 0.86 PTGS1 (0.71) PTGS1FFAR3LCKFYNAKR1C3
SCHEMBL31202752 0.85 PTGS1 (0.44) PTGS1FFAR3LCKFYNAKR1C3
SCHEMBL18913246 0.85 PTGS1 (0.44) PTGS1FFAR3LCKFYNAKR1C3
SCHEMBL10109999 0.85 PTGS1 (0.44) PTGS1FFAR3LCKFYNAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9177773-B2 Systems and methods extending the laserspray ionization mass spectrometry concept from atmospheric pressure to vacuum WAYNE STATE UNIVERSITY (US) 2015-11-03 US disclosed
US-9177773-B2 Systems and methods extending the laserspray ionization mass spectrometry concept from atmospheric pressure to vacuum WAYNE STATE UNIVERSITY (US) 2015-11-03 US disclosed
US-20150053854-A1 SYSTEMS AND METHODS EXTENDING THE LASERSPRAY IONIZATION MASS SPECTROMETRY CONCEPT FROM ATMOSPHERIC PRESSURE TO VACUUM WAYNE STATE UNIVERSITY (US) 2015-02-26 US disclosed
US-20150053854-A1 SYSTEMS AND METHODS EXTENDING THE LASERSPRAY IONIZATION MASS SPECTROMETRY CONCEPT FROM ATMOSPHERIC PRESSURE TO VACUUM WAYNE STATE UNIVERSITY (US) 2015-02-26 US disclosed
US-8853621-B2 Systems and methods extending the laserspray ionization mass spectrometry concept from atmospheric pressure to vacuum WAYNE STATE UNIVERSITY (US) 2014-10-07 US disclosed
US-8853621-B2 Systems and methods extending the laserspray ionization mass spectrometry concept from atmospheric pressure to vacuum WAYNE STATE UNIVERSITY (US) 2014-10-07 US disclosed
US-20140027631-A1 Systems and Methods Extending the Laserspray Ionization Mass Spectrometry Concept from Atmospheric Pressure to Vacuum WAYNE STATE UNIVERSITY (US) 2014-01-30 US disclosed
US-20140027631-A1 Systems and Methods Extending the Laserspray Ionization Mass Spectrometry Concept from Atmospheric Pressure to Vacuum WAYNE STATE UNIVERSITY (US) 2014-01-30 US disclosed
US-8445533-B2 Andrographolide derivatives to treat viral infections CORNELL RESEARCH FOUNDATION, INC. (US) 2013-05-21 US disclosed
WO-2012058248-A2 SYSTEMS AND METHODS EXTENDING THE LASERSPRAY IONIZATION MASS SPECTROMETRY CONCEPT FROM ATMOSPHERIC PRESSURE TO VACUUM WAYNE STATE UNIVERSITY (US) 2012-05-03 WO disclosed
WO-2012058248-A2 SYSTEMS AND METHODS EXTENDING THE LASERSPRAY IONIZATION MASS SPECTROMETRY CONCEPT FROM ATMOSPHERIC PRESSURE TO VACUUM WAYNE STATE UNIVERSITY (US) 2012-05-03 WO disclosed
EP-1817024-A2 ANDROGRAPHOLIDE DERIVATIVES TO TREAT VIRAL INFECTIONS CORNELL RESEARCH FOUNDATION, INC. (US) 2007-08-15 EP disclosed
US-20060223785-A1 Andrographolide derivatives to treat viral infections CORNELL RESEARCH FOUNDATION, INC. 2006-10-05 US disclosed
WO-2006101538-A2 ANDROGRAPHOLIDE DERIVATIVES TO TREAT VIRAL INFECTIONS CORNELL RESEARCH FOUNDATION, INC. (US) 2006-09-28 WO disclosed
US-5708168-A FOR TREATING OR PREVENTING NEURONAL LOSS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1998-01-13 US disclosed
WO-1996015112-A1 AZEPINE SYNTHESIS VIA A DIELS-ALDER REACTION ACEA PHARMACEUTICALS, INC. (US) 1996-05-23 WO disclosed
US-5476933-A Condensation, ring expansion STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1995-12-19 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 (1 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-20060223785-A1 Andrographolide derivatives to treat viral infections HAVCR2, MAVS, EIF2AK2 PTGS1 1661/4885FFAR3 2123/4885LCK 4021/4885

“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.