SCHEMBL4123049

SCHEMBL4123049

CCc1ccc(C(=O)Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPT P10636 4/20 0.41
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXRA P19793 1/20 0.38
PDK1 Q15118 1/20 0.37
DPP4 P27487 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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 0.85 CES2 (0.41) CES2CES1MAPTALDH1A1HPGD
SCHEMBL4123543 0.85 CES2 (0.41) CES2CES1MAPTALDH1A1HPGD
SCHEMBL3049461 0.85 CES2 (0.41) CES2CES1MAPTEPHX2NR1H4
SCHEMBL4124943 0.82 EPHX2 (0.55) CES2CES1MAPTEPHX2NR1H4
SCHEMBL6180535 0.82 MAOB (0.51) CES2CES1MAPTALDH1A1MAOB
SCHEMBL10354231 0.82 HSP90AA1 (0.42) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL25914488 0.81 PARP1 (0.46) CES2CES1EPHX2NR1H4MAOB
SCHEMBL1696329 0.81 PARP1 (0.46) CES2CES1EPHX2NR1H4MAOB
SCHEMBL20202559 0.81 MAPT (0.55) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL16959737 0.80 MAOB (0.41) CES2CES1MAPTEPHX2NR1H4

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
CN-114014824-B Application of heterocyclic compound 上海科技大学 2023-06-13 CN disclosed
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
CN-101018770-A PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2007-08-15 CN 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.