SCHEMBL4123543

SCHEMBL4123543

CCc1cc(C(=O)Cl)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
GAA P10253 3/20 0.38
SLC9A1 P19634 1/20 0.38
MAPT P10636 5/20 0.37
ALDH1A1 P00352 5/20 0.37
TSHR P16473 3/20 0.37
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.36
RIPK1 Q13546 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL31435271 1.00 CES2 (0.41) CES2CES1MRGPRX4HSP90AA1HSP90AB1
SCHEMBL4123049 0.85 CES2 (0.41) CES2CES1GAAMAPTALDH1A1
SCHEMBL4356098 0.84 CES2 (0.43) CES2CES1MRGPRX4HSP90AA1HSP90AB1
SCHEMBL5591797 0.83 CES2 (0.39) CES2CES1MRGPRX4ALDH1A1TSHR
SCHEMBL6181668 0.82 PKM (0.52) CES2CES1GAAALDH1A1
SCHEMBL3684044 0.82 MRGPRX4 (0.51) CES2CES1MRGPRX4GAAMAPT
SCHEMBL29759273 0.82 MRGPRX4 (0.51) CES2CES1MRGPRX4GAAMAPT
SCHEMBL10354231 0.82 HSP90AA1 (0.42) HSP90AA1HSP90AB1GAAMAPTALDH1A1
SCHEMBL31279141 0.81 PARP1 (0.46) CES2CES1SLC9A1TSHR
SCHEMBL3688309 0.81 PARP1 (0.46) CES2CES1SLC9A1TSHR

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 2003/4885MRGPRX4 17/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 CES2 3860/4885CES1 2003/4885MRGPRX4 17/4885

“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.