SCHEMBL7079306

SCHEMBL7079306

O=C(c1sccc1-c1ccc(F)cc1)c1sccc1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 11/20 0.53
BCAT2 O15382 1/20 0.49
MAPK14 Q16539 1/20 0.46
PTGS2 P35354 7/20 0.45
RORB Q92753 2/20 0.44

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
SCHEMBL1340183 0.87 BCAT2 (0.51) PTGS1BCAT2MAPK14PTGS2
SCHEMBL27353967 0.85 BCAT2 (0.69) PTGS1BCAT2MAPK14PTGS2
SCHEMBL10333638 0.81 BCAT2 (0.53) PTGS1BCAT2RORB
SCHEMBL9121778 0.80 BCAT2 (0.72) BCAT2RORB
SCHEMBL3157739 0.78 PTGS2 (0.51) BCAT2PTGS2RORB
SCHEMBL28228755 0.77 PRKCZ (0.61) PTGS1MAPK14
SCHEMBL11278816 0.77 ESR1 (0.44)
SCHEMBL3848295 0.77 BCAT2 (0.45) PTGS1BCAT2RORB
SCHEMBL11705354 0.77 BCAT2 (0.45) PTGS1BCAT2RORB
SCHEMBL1942722 0.77 RORB (0.45) PTGS1BCAT2RORB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779168-B2 Lactone compounds and materials made therefrom TRANSITIONS OPTICAL, INC. (US) 2014-07-15 US disclosed
US-20120157677-A1 LACTONE COMPOUNDS AND MATERIALS MADE THEREFROM TRANSITIONS OPTICAL INC. (US) 2012-06-21 US disclosed
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 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 (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-20120157677-A1 LACTONE COMPOUNDS AND MATERIALS MADE THEREFROM LSS, DCXR, NISCH PTGS1 68/4885BCAT2 1401/4885MAPK14 4060/4885
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 PTGS1 93/4885BCAT2 342/4885MAPK14 997/4885

“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.