SCHEMBL5167036

SCHEMBL5167036

CC(N)(CO)CCc1ccc(C#CCOCc2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
ALOX5 P09917 1/20 0.32
MAOB P27338 6/20 0.31
KMT2A Q03164 2/20 0.31
S1PR1 P21453 1/20 0.30
TACR1 P25103 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5167278 0.90 DPP4 (0.34) IDO1ALOX5MAOBKMT2A
SCHEMBL5166335 0.90 ALOX5 (0.40) ALOX5S1PR1
SCHEMBL5166026 0.89 S1PR1 (0.32) S1PR1
SCHEMBL5166283 0.89 KCNH2 (0.33) S1PR1
SCHEMBL5167129 0.87 KDM4E (0.39)
SCHEMBL5168147 0.87 ALOX5 (0.35) IDO1ALOX5MAOBS1PR1
SCHEMBL5179483 0.87 HDAC4 (0.38) IDO1
SCHEMBL387023 0.86 S1PR1 (0.39) S1PR1
SCHEMBL5167502 0.86 ALOX5 (0.40) ALOX5
SCHEMBL5168669 0.85 TAAR1 (0.35) ALOX5MAOBS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 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 (2 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A IDO1 59/4885ALOX5 1064/4885MAOB 1891/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A IDO1 59/4885ALOX5 1064/4885MAOB 1891/4885

“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.