SCHEMBL2640157

SCHEMBL2640157

[C]#CCC1CCC(C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.54
PLAT P00750 1/20 0.54
LMNA P02545 1/20 0.54
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38

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
SCHEMBL929414 0.80 PLG (0.56) PLGPLATLMNAANPEPENPEP
SCHEMBL3424858 0.80 PLG (0.56) PLGPLATLMNAANPEPENPEP
SCHEMBL20501700 0.78 PLG (0.54) PLGPLATLMNAANPEPENPEP
SCHEMBL20501699 0.78 PLG (0.54) PLGPLATLMNAANPEPENPEP
SCHEMBL542144 0.78
SCHEMBL7355454 0.77
SCHEMBL2639277 0.76 TP53 (0.40) ALDH1A1NPC1RAB9A
SCHEMBL11664391 0.74 LMNA (0.65) PLGPLATLMNAANPEPENPEP
SCHEMBL125689 0.74 LMNA (0.65) PLGPLATLMNAANPEPENPEP
Cyclopropane Carboxylic Acid SCHEMBL4643 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4837831-B2 2011-12-14 JP claimed
US-20070265440-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY RESPONSE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-11-15 US claimed
CN-1191266-C Compositions for treating inflammatory response UNIV VIRGINIA (US) 2005-03-02 CN claimed
EP-1194440-B1 INDUCTION OF PHARMACOLOGICAL STRESS WITH ADENOSINE RECEPTOR AGONISTS UNIV VIRGINIA (US) 2005-02-16 EP claimed
EP-1150991-B1 COMPOSITIONS FOR TREATING INFLAMMATORY RESPONSE UNIV VIRGINIA (US) 2004-04-07 EP claimed
US-20030162742-A1 Methods and compositions for treating inflammatory response UNIVERSITY OF VIRGINIA PATENT FOUNDATION, UNIVERSITY OF VIRGINIA. 2003-08-28 US claimed
US-6531457-B2 A2A adenosine receptor antagonists such as methyl-4-(3-(9-(5-(N-ethylcarbamoyl)-3,4-dihydrooxolan-2-yl)-6-aminopurin-2 -yl))prop-2-ynyl)cyclohexane-carboxylate UNIVERSITY OF VIRGINIA 2003-03-11 US claimed
CN-1357002-A Compositions for treating inflammatory responses UNIV VIRGINIA (US) 2002-07-03 CN claimed
EP-1194440-A2 INDUCTION OF PHARMACOLOGICAL STRESS WITH ADENOSINE RECEPTOR AGONISTS THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2002-04-10 EP claimed
US-6322771-B1 PARENTERALLY ADMINISTERING TO A MAMMAL A PURINE DERIVATIVE TO DIAGNOSE CORONARY ARTERY STENOSIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2001-11-27 US claimed
EP-1150991-A2 COMPOSITIONS FOR TREATING INFLAMMATORY RESPONSE THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2001-11-07 EP claimed
US-20010027185-A1 Methods and compositions for treating inflammatory response UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2001-10-04 US claimed
US-6232297-B1 ADMINISTERING 4-AMINOPYRROLO(3,2-D)PYRIMIDINE DERIVATIVE AS ADENOSINE RECEPTOR ANTAGONIST UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2001-05-15 US claimed
WO-2000078774-A2 INDUCTION OF PHARMACOLOGICAL STRESS WITH ADENOSINE RECEPTOR AGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-12-28 WO claimed
WO-2000044763-A2 COMPOSITIONS FOR TREATING INFLAMMATORY RESPONSE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-08-03 WO claimed

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-20070265440-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY RESPONSE ADORA2A, ADORA2B, LTB4R2 PLG 537/4885PLAT 807/4885LMNA 3335/4885
US-20030162742-A1 Methods and compositions for treating inflammatory response ADORA2A, P2RY2, LTB4R2 PLG 800/4885PLAT 772/4885LMNA 3143/4885
US-20010027185-A1 Methods and compositions for treating inflammatory response LTB4R2, ADORA2A, PTGES2 PLG 341/4885PLAT 495/4885LMNA 2436/4885

“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.