SCHEMBL7137993

SCHEMBL7137993

C/C(=C\c1c(F)c(F)cc(F)c1F)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
APEX1 P27695 9/20 0.40
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 2/20 0.38
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
TRPA1 O75762 1/20 0.34
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33

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
SCHEMBL7138000 1.00 AKR1C3 (0.44) AKR1C3APEX1CA1CA2CA4
Guanidine SCHEMBL7167005 0.90 AKR1C3 (0.37) AKR1C3APEX1CA1CA2CA4
Guanidine SCHEMBL7167001 0.90 AKR1C3 (0.37) AKR1C3APEX1CA1CA2CA4
SCHEMBL466254 0.83 AKR1C3 (0.45) AKR1C3APEX1
SCHEMBL263472 0.83 AKR1C3 (0.45) AKR1C3APEX1
SCHEMBL7130597 0.82 AKR1C3 (0.47) AKR1C3APEX1CES2CES1
SCHEMBL7130604 0.82 AKR1C3 (0.47) AKR1C3APEX1CES2CES1
SCHEMBL10668882 0.82 CA1 (0.36) CA1CA2CA4CES2CES1
SCHEMBL10668879 0.82 CA1 (0.36) CA1CA2CA4CES2CES1
SCHEMBL2570881 0.80 AKR1C3 (0.53) AKR1C3APEX1CES2CES1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2664627-B1 Surface modification method and surface-modified elastic body SUMITOMO RUBBER IND (JP) 2015-03-04 EP claimed
US-6504057-B2 Anti-arrhythmia, -ischemic, -proliferative and -diabetic agents; cardiotonic, necrosis; angina pectoris; peripheral and central nervous systems; protecting/preserving organs; inhibition of Na+/H+ exchange; diagnosis hypertonia HOECHST AKTIENGESELLSCHAFT (DE) 2003-01-07 US disclosed
US-20020123529-A1 Anti-arrhythmia, -ischemic, -proliferative and -diabetic agents; cardiotonic, necrosis; angina pectoris; peripheral and central nervous systems; protecting/preserving organs; inhibition of Na+/H+ exchange; diagnosis hypertonia HOECHST AKTIENGESELLSCHAFT 2002-09-05 US disclosed
US-20010020042-A1 Cardiovascular disorders HOECHST AKTIENGESELLSCHAFT 2001-09-06 US disclosed
EP-0628610-B1 Scratch-resistant anti-soiling and anti-graffiti coating for mouldings ROEHM GMBH (DE) 1999-08-11 EP disclosed
EP-0628614-B1 Acrylate based scratch-resistant coating ROEHM GMBH (DE) 1999-08-11 EP disclosed
EP-0628610-A1 Scratch-resistant anti-soiling and anti-graffity coating for mouldings RÖHM GMBH (DE) 1994-12-14 EP disclosed
EP-0628614-A1 Acrylate based scratch-resistant coating RÖHM GMBH (DE) 1994-12-14 EP disclosed
EP-0160379-B1 2,3,5,6-TETRAFLUOROPHENYL (METH)ACRYLATES AND THEIR PRODUCTION Nippon Shokubai Kagaku Kogyo Co., Ltd (JP) 1988-06-29 EP disclosed
EP-0160379-A1 2,3,5,6-tetrafluorophenyl (meth)acrylates and their production Nippon Shokubai Kagaku Kogyo Co., Ltd (JP) 1985-11-06 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 (2 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-20020123529-A1 Anti-arrhythmia, -ischemic, -proliferative and -diabetic agents; cardiotonic, necrosis; angina pectoris; peripheral and central nervous systems; protecting/preserving organs; inhibition of Na+/H+ exchange; diagnosis hypertonia TNNI3, SLC5A1, TNNC1 AKR1C3 613/4885APEX1 2554/4885CA1 1481/4885
US-20010020042-A1 Cardiovascular disorders SLC5A1, SLC9A1, SLC28A1 AKR1C3 393/4885APEX1 971/4885CA1 2630/4885

“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.