SCHEMBL5120697

SCHEMBL5120697

CC(C)(C)C(C(=O)O)n1c(SCCCN(C2CC2)S(=O)(=O)c2ccccc2)nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.38
BACE1 P56817 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ESR2 Q92731 3/20 0.36
ESR1 P03372 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 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
SCHEMBL5120974 0.88 PTGDR2 (0.38) PTGDR2NPSR1CYP3A4MAPTCYP2C19
SCHEMBL5113142 0.85 NR1I2 (0.40) PTGDR2BACE1NPSR1CYP3A4MAPT
SCHEMBL5109335 0.84 NPSR1 (0.42) PTGDR2BACE1NPSR1MAPTSMN1; SMN2
SCHEMBL5120952 0.84 PTGDR2 (0.44) PTGDR2BACE1NPSR1MAPTSMN1; SMN2
SCHEMBL5114030 0.83 PTGDR2 (0.38) PTGDR2NPSR1CYP3A4MAPTCYP2C19
SCHEMBL5112086 0.81 PTGDR2 (0.39) PTGDR2NPSR1CYP3A4MAPTCYP2C19
SCHEMBL5114644 0.81 PTGDR2 (0.38) PTGDR2NPSR1CYP3A4MAPTCYP2C19
SCHEMBL5105569 0.81 PTGDR2 (0.43) PTGDR2NPSR1CYP3A4MAPTCYP2C19
SCHEMBL5122751 0.81 PTGDR2 (0.59) PTGDR2MEN1KMT2AHPGD
SCHEMBL5108269 0.79 PTGDR2 (0.40) PTGDR2NPSR1ALDH1A1LMNAMEN1

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 PTGDR2 12/4885BACE1 3635/4885NPSR1 357/4885

“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.