SCHEMBL2943335

SCHEMBL2943335

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.38
▸ BTK Q06187 1/20 0.35
▸ MAOB P27338 2/20 0.32
▸ KDM1A O60341 2/20 0.32
▸ MAOA P21397 1/20 0.32
▸ CTSK P43235 2/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ CCR1 P32246 1/20 0.31

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
SCHEMBL1503774 0.80 BTK (0.40) RORCBTKMAOBKDM1ACTSK
SCHEMBL1503741 0.79 BTK (0.42) RORCBTKMAOBKDM1ACTSK
SCHEMBL14259181 0.77 BTK (0.44) BTKMAOBKDM1AMAOACTSK
SCHEMBL741205 0.77 BTK (0.41) BTKMAOBKDM1AMAOACTSK
SCHEMBL12531979 0.77 BTK (0.41) BTKMAOBKDM1AMAOACTSK
SCHEMBL16095542 0.77 BTK (0.44) BTKMAOBKDM1AMAOACTSK
SCHEMBL4690514 0.77 BTK (0.44) BTKMAOBKDM1AMAOACTSK
SCHEMBL5430323 0.77 BTK (0.44) BTKMAOBKDM1AMAOACTSK
SCHEMBL741204 0.77 BTK (0.41) BTKMAOBKDM1AMAOACTSK
SCHEMBL20063737 0.77 BTK (0.41) BTKMAOBKDM1AMAOACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RORC 3962/4885BTK 1281/4885MAOB 2147/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R RORC 3397/4885BTK 1117/4885MAOB 2668/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R RORC 3962/4885BTK 1281/4885MAOB 2147/4885

“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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