SCHEMBL5111014

SCHEMBL5111014

CC(C)(C)C(C(=O)O)n1c(SCCCNS(=O)(=O)c2ccccc2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PKM P14618 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR1H2 P55055 1/20 0.39
TBXA2R P21731 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5114369 0.89 PTGDR2 (0.43) PTGDR2MEN1KMT2AALDH1A1NPSR1
SCHEMBL5110273 0.87 PTGDR2 (0.47) PTGDR2MEN1KMT2AALDH1A1NPSR1
SCHEMBL5112203 0.83 ALDH1A1 (0.47) PTGDR2ALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL5112492 0.83 PTGDR2 (0.39) PTGDR2MEN1KMT2AALDH1A1NPSR1
SCHEMBL5106804 0.83 PTGDR2 (0.45) PTGDR2MEN1KMT2ALMNAPOLB
SCHEMBL5120969 0.83 PTGDR2 (0.39) PTGDR2MEN1GAAKMT2AALDH1A1
SCHEMBL5109960 0.82 PTGDR2 (0.42) PTGDR2MEN1KMT2AALDH1A1NPSR1
SCHEMBL5120534 0.82 PTGDR2 (0.47) PTGDR2MEN1GAAKMT2AALDH1A1
SCHEMBL5121317 0.82 PTGDR2 (0.44) PTGDR2MEN1KMT2AALDH1A1NPSR1
SCHEMBL5113890 0.81 BRD4 (0.47) PTGDR2MEN1GAAKMT2ANPSR1

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 12/4885MEN1 4731/4885GAA 3919/4885

“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.