SCHEMBL4123900

SCHEMBL4123900

C[C@H]1C[C@@H](NC(=O)O)c2cc(Cl)ccc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.36
HSD17B2 P37059 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
CYP1A2 P05177 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 2/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34

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
SCHEMBL20269996 0.84 MEN1 (0.41) MAPTATMHSD17B2CYP1A2MEN1
SCHEMBL20269993 0.84 MEN1 (0.41) MAPTATMHSD17B2CYP1A2MEN1
SCHEMBL4132012 0.80 MAPT (0.45) MAPTHTTNPSR1CYP1A2MEN1
SCHEMBL1043937 0.80 MAPT (0.45) MAPTHTTNPSR1CYP1A2MEN1
SCHEMBL4129049 0.79 POLB (0.39) SIRT2SIRT1CHRNB2CHRNA4CYP1A2
SCHEMBL4129047 0.79 POLB (0.39) SIRT2SIRT1CHRNB2CHRNA4CYP1A2
SCHEMBL221468 0.69 BRD4 (0.48) CYP2C19CYP3A4HPGDCYP2C9
SCHEMBL8996384 0.69 CHRNB2 (0.38) MAPTHTTHSD17B2CHRNB2CHRNA4
SCHEMBL221466 0.69 BRD4 (0.48) CYP2C19CYP3A4HPGDCYP2C9
SCHEMBL221467 0.69 BRD4 (0.48) CYP2C19CYP3A4HPGDCYP2C9

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-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
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 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 (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 CDC25B 3290/4885SIRT2 3379/4885SIRT1 3995/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 CDC25B 3290/4885SIRT2 3379/4885SIRT1 3995/4885

“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.