SCHEMBL5206465

SCHEMBL5206465

O=C(O)/C=C/c1ccccc1-c1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.61
PTGER3 P43115 2/20 0.61
PTGER2 P43116 2/20 0.61
PTGER4 P35408 1/20 0.57
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NFKB1 P19838 1/20 0.47
CA4 P22748 1/20 0.47
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
BACE1 P56817 2/20 0.45
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.42
HSD17B3 P37058 1/20 0.41
EIF2AK2 P19525 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7249342 1.00 PTGER1 (0.61) PTGER1PTGER3PTGER2PTGER4CA1
Bromide SCHEMBL6988730 0.98 PTGER1 (0.59) PTGER1PTGER3PTGER2PTGER4CA1
Bromide SCHEMBL6988733 0.98 PTGER1 (0.59) PTGER1PTGER3PTGER2PTGER4CA1
SCHEMBL28355110 0.86 PTGER3 (0.66) PTGER1PTGER3PTGER2PTGER4CA1
SCHEMBL181054 0.84 PTGER3 (0.66) PTGER1PTGER3PTGER2PTGER4CA1
SCHEMBL2433472 0.84 PTGER3 (0.66) PTGER1PTGER3PTGER2PTGER4CA1
SCHEMBL20546503 0.83 PTGER1 (0.62) PTGER1PTGER3PTGER2PTGER4CA1
Hydrochloric Acid SCHEMBL11527565 0.82 PTGER3 (0.64) PTGER1PTGER3PTGER2PTGER4CA1
SCHEMBL1225003 0.82 PTGER3 (0.69) PTGER1PTGER3PTGER2PTGER4CA1
SCHEMBL27437281 0.80 CCNC (0.52) PTGER1PTGER3PTGER2PTGER4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6627656-B2 Antagonists of the pain and inflammatory effects of E-type prostaglandins administered alone or in combination with analgesics, antipyretics, NSAIDs, antitussives, decongestants etc MERCK FROSST CANADA LTD. (CA) 2003-09-30 US disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-20020082266-A1 Method of treatment using phenyl and biaryl derivatives as prostaglandin E inhibitors and compounds useful therefore MERCK FROSST CANADA LTD. (CA) 2002-06-27 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 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 (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-20020082266-A1 Method of treatment using phenyl and biaryl derivatives as prostaglandin E inhibitors and compounds useful therefore PTGER1, PTGS1, PTGES PTGER1 1/4885PTGER3 16/4885PTGER2 6/4885

“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.