SCHEMBL744166

SCHEMBL744166

CC[C@]1(C(=O)O)CC[C@@H](OS(C)(=O)=O)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ RORC P51449 3/20 0.34
▸ BTK Q06187 1/20 0.33
▸ KDM1A O60341 1/20 0.31
▸ EPHX1 P07099 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
SCHEMBL740804 0.81 BTK (0.37) MAOBMAOARORCBTKKDM1A
SCHEMBL1504585 0.81 BTK (0.37) MAOBMAOARORCBTKKDM1A
SCHEMBL5511308 0.81 BTK (0.37) MAOBMAOARORCBTKKDM1A
SCHEMBL1504166 0.80 BTK (0.39) MAOBMAOARORCBTKKDM1A
SCHEMBL3326571 0.77 BTK (0.46) MAOBBTKKDM1AEPHX1
SCHEMBL3327036 0.77 BTK (0.46) MAOBBTKKDM1AEPHX1
SCHEMBL14169680 0.77 BTK (0.46) MAOBBTKKDM1AEPHX1
SCHEMBL1503980 0.77 MAOB (0.37) MAOBMAOAKDM1A
SCHEMBL2943335 0.76 RORC (0.38) MAOBMAOARORCBTKKDM1A
SCHEMBL5430323 0.74 BTK (0.44) MAOBMAOABTKKDM1AEPHX1

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-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 — — EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 — — US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 — — US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 — — US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — 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 (3 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-20050245565-A1 Diamine derivatives C9, C1S, C1R MAOB 2147/4885MAOA 3264/4885RORC 3962/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R MAOB 2668/4885MAOA 3736/4885RORC 3397/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R MAOB 2147/4885MAOA 3264/4885RORC 3962/4885

“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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