SCHEMBL5114619

SCHEMBL5114619

CC(C)(C)C(C(=O)O)n1c(SCCCNC(=O)c2ccc(Br)cc2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 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
SCHEMBL5106804 0.94 PTGDR2 (0.45) NPC1RAB9APTGDR2TP53POLB
SCHEMBL5115234 0.90 NPC1 (0.47) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL5112203 0.85 ALDH1A1 (0.47) SMN1; SMN2HTTPTGDR2L3MBTL1POLB
SCHEMBL5120534 0.83 PTGDR2 (0.47) PTGDR2L3MBTL1POLBKMT2AMEN1
SCHEMBL5121317 0.83 PTGDR2 (0.44) HPGDHTTPTGDR2POLBKMT2A
SCHEMBL5107194 0.83 PTGDR2 (0.43) RAB9AHPGDPTGDR2L3MBTL1POLB
SCHEMBL5112186 0.83 PTGDR2 (0.48) SMN1; SMN2HTTPTGDR2KMT2AMEN1
SCHEMBL5113890 0.83 BRD4 (0.47) PTGDR2KMT2AMEN1NPSR1
SCHEMBL5115635 0.83 PTGDR2 (0.43) HTTPTGDR2ALDH1A1NPSR1
SCHEMBL5114817 0.82 PTGDR2 (0.43) PTGDR2TP53MAPT

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 SMN1; SMN2 3386/4885NPC1 4454/4885NFKB1 926/4885

“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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