SCHEMBL5115234

SCHEMBL5115234

COc1ccc(C(=O)NCCCSc2nc3ccccc3n2C(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.47
▸ RAB9A P51151 7/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 3/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ UBE2N P61088 1/20 0.41

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
SCHEMBL5106804 0.92 PTGDR2 (0.45) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL5114619 0.90 SMN1; SMN2 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL5112203 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTNPSR1POLB
SCHEMBL5113890 0.83 BRD4 (0.47) NPSR1KMT2AMEN1PTGDR2
SCHEMBL5120534 0.82 PTGDR2 (0.47) ALDH1A1NPSR1KMT2AMEN1POLB
SCHEMBL5121317 0.82 PTGDR2 (0.44) ALDH1A1NPSR1KMT2AMEN1POLB
SCHEMBL5112311 0.81 PTGDR2 (0.46) KMT2AMEN1POLBPTGDR2
SCHEMBL5107194 0.81 PTGDR2 (0.43) RAB9AALDH1A1MAPTNPSR1KMT2A
SCHEMBL5121151 0.81 PTGDR2 (0.64) ALDH1A1MAPTNPSR1KMT2AMEN1
SCHEMBL5112186 0.81 PTGDR2 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E

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 NPC1 4454/4885RAB9A 2656/4885ALDH1A1 470/4885

“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.

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