SCHEMBL5115694

SCHEMBL5115694

CCC(C(=O)O)n1c(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
MAOA P21397 6/20 0.54
MAOB P27338 6/20 0.54
RXFP1 Q9HBX9 4/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.45
PKM P14618 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5113630 0.80 TP53 (0.75) TP53MAPK1MAOAMAOBRXFP1
SCHEMBL25201811 0.71 MAOA (1.00) MAPK1MAOAMAOBRXFP1KMT2A
SCHEMBL11604357 0.70 CYP1A2 (0.51) RXFP1KMT2AALDH1A1PKMMEN1
SCHEMBL25206902 0.66 MAOB (1.00) MAPK1MAOAMAOBRXFP1ALDH1A1
SCHEMBL3372363 0.66 ALDH1A1 (0.60) TP53MAPK1ALDH1A1NPSR1
SCHEMBL25204131 0.65 MAOB (1.00) MAOAMAOBRXFP1KMT2APKM
SCHEMBL10477412 0.64 ADORA2B (0.56) MAPK1RXFP1KMT2AMEN1POLB
SCHEMBL18832690 0.63 PKM (0.51) MAOAMAOBKMT2AALDH1A1PKM
SCHEMBL21602500 0.63 RXFP1 (0.79) MAPK1MAOAMAOBRXFP1KMT2A
SCHEMBL21602513 0.62 RXFP1 (1.00) MAPK1MAOAMAOBRXFP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 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 (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-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 TP53 3872/4885MAPK1 1024/4885MAOA 4051/4885

“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.