SCHEMBL2089591

SCHEMBL2089591

CCOC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 20/20 0.77
AKR1B1 P15121 20/20 0.77

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
Lidorestat SCHEMBL29387869 0.87 AKR1A1 (1.00) AKR1A1AKR1B1
Lidorestat SCHEMBL419032 0.87 AKR1A1 (1.00) AKR1A1AKR1B1
Lidorestat SCHEMBL6103908 0.86 AKR1A1 (0.98) AKR1A1AKR1B1
SCHEMBL4164332 0.83 AKR1A1 (0.58) AKR1A1AKR1B1
SCHEMBL419953 0.82 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL8655001 0.80 AKR1A1 (0.52) AKR1A1AKR1B1
SCHEMBL443358 0.79 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL443930 0.78 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL2099099 0.78 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL445068 0.78 AKR1A1 (1.00) AKR1A1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314257-B2 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2012-11-20 US disclosed
US-8198314-B2 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2012-06-12 US disclosed
US-8163931-B2 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2012-04-24 US disclosed
US-8163936-B2 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2012-04-24 US disclosed
US-7582672-B2 Compounds for the treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2009-09-01 US disclosed
EP-1682121-B1 USE OF CRTH2 ANTAGONIST COMPOUNDS IN THERAPY OXAGEN LTD (GB) 2009-08-12 EP disclosed
EP-2060258-A1 Use of CRTH2 antagonist compounds in therapy Oxagen Limited (GB) 2009-05-20 EP disclosed
US-20090023788-A1 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2009-01-22 US disclosed
US-20090018138-A1 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2009-01-15 US disclosed
US-20090018139-A1 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2009-01-15 US disclosed
US-20090018338-A1 Treatment of CRTH2-Mediated diseases and conditions OXAGEN LIMITED (GB) 2009-01-15 US disclosed
EP-1682121-A1 USE OF CRTH2 ANTAGONIST COMPOUNDS IN THERAPY Oxagen Limited (GB) 2006-07-26 EP disclosed
US-20050119268-A1 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2005-06-02 US disclosed
WO-2005044260-A1 USE OF CRTH2 ANTAGONIST COMPOUNDS IN THERAPY OXAGEN LIMITED (GB) 2005-05-19 WO 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 (5 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-20090023788-A1 Treatment of CRTH2-mediated diseases and conditions PTGDR2, PTGER2, PTGES2 AKR1A1 990/4885AKR1B1 585/4885
US-20090018138-A1 Treatment of CRTH2-mediated diseases and conditions PTGDR2, PTGER2, PTGES2 AKR1A1 990/4885AKR1B1 585/4885
US-20090018338-A1 Treatment of CRTH2-Mediated diseases and conditions PTGDR2, PTGER2, PTGES2 AKR1A1 990/4885AKR1B1 585/4885
US-20050119268-A1 Treatment of CRTH2-mediated diseases and conditions PTGDR2, PTGER2, PTGES2 AKR1A1 990/4885AKR1B1 585/4885
US-20090018139-A1 Treatment of CRTH2-mediated diseases and conditions PTGDR2, PTGER2, PTGES2 AKR1A1 990/4885AKR1B1 585/4885

“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.