SCHEMBL16590004

SCHEMBL16590004

NC(CO)(CO)CCc1ccc2sc3ccc(OCc4cccc(C(F)(F)F)c4)cc3c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.49
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
NR4A2 P43354 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOA P21397 1/20 0.46
POLB P06746 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.42
PDGFRA P16234 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
ANO1 Q5XXA6 1/20 0.40

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
SCHEMBL18878740 0.91 MAOB (0.42) MAOBFFAR1FFAR4NR4A2MAPT
SCHEMBL16527546 0.88 ICAM1 (0.39) MAOBMAPTL3MBTL1S1PR1
SCHEMBL16590249 0.87 S1PR1 (0.48) MAOBFFAR1MAPTL3MBTL1MAOA
Hydrochloric Acid SCHEMBL16527322 0.86 S1PR1 (0.48) MAOBFFAR1MAPTL3MBTL1MAOA
SCHEMBL16590051 0.83 ICAM1 (0.37) MAOBMAPTL3MBTL1S1PR1
SCHEMBL16527365 0.83 CACNA1B (0.38) MAOBS1PR1
SCHEMBL16590237 0.83 S1PR1 (0.47) MAOBFFAR1MAPTL3MBTL1MAOA
SCHEMBL16527368 0.83 S1PR1 (0.47) MAOBFFAR1MAPTL3MBTL1MAOA
SCHEMBL16590040 0.82 S1PR1 (0.39) S1PR1
SCHEMBL16590170 0.81 S1PR1 (0.39) MAPTS1PR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657043-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-05-23 US disclosed
US-9657043-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-05-23 US disclosed
US-20150087620-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-26 US disclosed
US-20150087620-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-26 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-20150087620-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HLA-B, HLA-A, HLA-C MAOB 58/4885FFAR1 2226/4885FFAR4 2958/4885

“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.