SCHEMBL233003

SCHEMBL233003

O=S(=O)(NC1CCc2cc3ccccn3c2C1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RB1 P06400 1/20 0.48
TBXA2R P21731 4/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.47
PTGDR Q13258 3/20 0.47
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
ABCB11 O95342 1/20 0.46
CYP2C9 P11712 1/20 0.46
DRD1 P21728 1/20 0.46
CCKAR P32238 1/20 0.46
PNMT P11086 1/20 0.41
HTR1A P08908 5/20 0.41
HTR7 P34969 5/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 1/20 0.41
DRD2 P14416 2/20 0.40

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
SCHEMBL233298 0.76 PTGDR2 (0.58) TBXA2RPTGDR2PTGDRCYP2C9DRD2
SCHEMBL9834116 0.71 RB1 (0.55) RB1TBXA2RPTGDR2PTGDRPSEN1
SCHEMBL9594597 0.71 KDM4E (0.58) RB1PSEN1PSEN2APH1BNCSTN
SCHEMBL2372170 0.69 SMN1; SMN2 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL231853 0.67 PLAU (0.49) DRD2ADRA1A
SCHEMBL234224 0.67 KDM4E (0.30)
SCHEMBL9835353 0.67 SMN1; SMN2 (0.56) RB1PSEN1PSEN2APH1BNCSTN
SCHEMBL7778999 0.66 RB1 (0.47) RB1TBXA2RPTGDR2PTGDRPSEN1
SCHEMBL12332792 0.66 SMN1; SMN2 (0.81)
SCHEMBL28111321 0.66 SMN1; SMN2 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915372-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2013-11-20 EP disclosed
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
WO-2010085820-A2 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-29 WO disclosed
US-7696222-B2 Indole derivatives as CRTH2 receptor antagonists MERCK FROSST CANADA LTD (CA) 2010-04-13 US disclosed
US-20090286825-A1 Indole derivatives as crth2 receptor antagonists MERCK CANADA INC. (CA) 2009-11-19 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-20090286825-A1 Indole derivatives as crth2 receptor antagonists MC2R, HRH2, PTGDR RB1 293/4885TBXA2R 7/4885PTGDR2 9/4885
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 RB1 3565/4885TBXA2R 6/4885PTGDR2 2/4885

“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.