SCHEMBL5772790

SCHEMBL5772790

O=C(O)CC1(O)CCCc2c1c(Sc1ccc(Cl)cc1)c1c(Br)cc(F)cn21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.40
PTGDR2 Q9Y5Y4 6/20 0.35
AKR1B1 P15121 4/20 0.35
PDE2A O00408 1/20 0.34
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PTGIR P43119 1/20 0.33
PTGDR Q13258 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
SCHEMBL5777765 0.76 TBXA2R (0.52) TBXA2RPTGDR2PDE2APTGER1PTGER4
SCHEMBL5772787 0.71 TBXA2R (0.59) TBXA2RPTGDR2AKR1B1PDE2APTGER1
SCHEMBL5774336 0.70 TBXA2R (0.43) TBXA2RPTGDR2AKR1B1PDE2APTGER1
SCHEMBL6690980 0.63 TBXA2R (0.54) TBXA2RPTGDR2PDE2APTGER1PTGFR
SCHEMBL5777761 0.58 TBXA2R (0.89) TBXA2RPTGDR2PDE2APTGER1PTGFR
SCHEMBL5773893 0.57 TBXA2R (1.00) TBXA2RPTGDR2PDE2APTGDR
SCHEMBL8362432 0.56 AKR1B1 (0.48) AKR1B1
SCHEMBL5835747 0.55 PKM (0.33) TBXA2RAKR1B1PDE2APTGER1PTGER4
SCHEMBL9391406 0.54 AKR1B1 (0.51) PTGDR2AKR1B1PTGDR
SCHEMBL4733549 0.54 AGBL2 (0.59) TBXA2RPTGDR2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 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 (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-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR TBXA2R 22/4885PTGDR2 2/4885AKR1B1 330/4885

“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.