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Sugi Predict / Compounds / SCHEMBL2005992

SCHEMBL2005992

SCHEMBL2005992

C=C(C(=O)Nc1ccc(Cc2nc(N(C)C)c(CC(=O)O)c(N3CCOCC3)n2)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 1/20 0.48
▸ PTGDR Q13258 1/20 0.48
▸ PTGDR2 Q9Y5Y4 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MTOR P42345 9/20 0.39
▸ PIK3CA P42336 8/20 0.39
▸ PIK3R1 P27986 4/20 0.39
▸ ACHE P22303 1/20 0.38
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PIK3CG P48736 2/20 0.36

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
SCHEMBL1010989 0.84 PTGDR2 (0.55) TBXA2RPTGDRPTGDR2SMN1; SMN2HTT
SCHEMBL1010012 0.83 RAB9A (0.52) TBXA2RPTGDRPTGDR2SMN1; SMN2ACHE
SCHEMBL1010026 0.83 RAB9A (0.52) TBXA2RPTGDRPTGDR2SMN1; SMN2ACHE
SCHEMBL8738580 0.83 NPC1 (0.49) TBXA2RPTGDRPTGDR2SMN1; SMN2RAB9A
SCHEMBL1009813 0.83 TBXA2R (0.62) TBXA2RPTGDRPTGDR2SMN1; SMN2MTOR
SCHEMBL1012442 0.83 PTGDR2 (0.59) TBXA2RPTGDRPTGDR2SMN1; SMN2PDE10A
SCHEMBL8737662 0.82 PTGDR2 (0.51) TBXA2RPTGDRPTGDR2SMN1; SMN2MTOR
SCHEMBL1009185 0.82 PTGDR2 (0.75) TBXA2RPTGDRPTGDR2SMN1; SMN2HTT
SCHEMBL8739272 0.81 MAPT (0.44) TBXA2RPTGDRPTGDR2SMN1; SMN2MTOR
SCHEMBL1010336 0.81 PTGDR2 (0.55) TBXA2RPTGDRPTGDR2SMN1; SMN2PDE10A

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-7960393-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2011-06-14 — — US claimed
US-20100322980-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 GB005, INC. 2010-12-23 — — US claimed
US-7812160-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2010-10-12 — — US claimed

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-20100322980-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 HRH2, HRH1, CXCR2 TBXA2R 60/4885PTGDR 111/4885PTGDR2 73/4885

“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.