SCHEMBL4130119

SCHEMBL4130119

CCc1c(F)cc(C(=O)Cl)cc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.37
▸ CES1 P23141 2/20 0.37
▸ MAPT P10636 8/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ HPGD P15428 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ GAA P10253 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
SCHEMBL13304429 0.81 CES2 (0.38) CES2CES1MAPTALDH1A1LMNA
SCHEMBL4129553 0.81 LMNA (0.44) CES2CES1MAPTALDH1A1HPGD
SCHEMBL4118011 0.77 HSP90AA1 (0.37) ALDH1A1HPGDTSHRLMNAHTT
SCHEMBL28902929 0.77 GLRA1 (0.32) ALDH1A1ALOX15
SCHEMBL4123049 0.76 CES2 (0.41) CES2CES1MAPTALDH1A1HPGD
SCHEMBL987144 0.76 HDAC1 (0.57) CES2CES1MAPTALDH1A1HPGD
SCHEMBL193908 0.75 CES2 (0.64) CES2CES1ALDH1A1TSHRLMNA
SCHEMBL28609176 0.75 POLB (0.36) CES2CES1LMNAHTTRAB9A
SCHEMBL15601810 0.73 TTR (0.47) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL7922005 0.73 CES2 (0.42) CES2CES1ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 — — US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 — — US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 — — EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 — — US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 — — 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 (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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 CES2 3860/4885CES1 2003/4885MAPT 4208/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 CES2 3860/4885CES1 2003/4885MAPT 4208/4885

“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.

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