SCHEMBL5114340

SCHEMBL5114340

CC(C)(C)OC(=O)N(CCCSc1nc2ccccc2[nH]1)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.60
ALDH1A1 P00352 1/20 0.54
LMNA P02545 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAOB P27338 1/20 0.47
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
BCHE P06276 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL5534689 0.92 AR (0.52) ARALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5500813 0.91 AR (0.56) ARALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5504394 0.85 AR (0.58) ARALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5506178 0.83 ALDH1A1 (0.57) ARALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5111621 0.82 AR (0.61) ARALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5499298 0.80 AR (0.63) ARALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5106826 0.76 PTGDR2 (0.68) KMT2A
SCHEMBL26995509 0.75 L3MBTL1 (0.47) NPC1RAB9AKMT2APOLB
SCHEMBL4524217 0.75 L3MBTL1 (0.41) NPC1RAB9AKMT2APOLB
SCHEMBL5503332 0.75 AR (0.63) ARALDH1A1LMNASMN1; SMN2MAPT

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 AR 528/4885ALDH1A1 470/4885LMNA 4724/4885

“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.