SCHEMBL15420199

SCHEMBL15420199

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
RORC P51449 2/20 0.37
KDM1A O60341 2/20 0.36
MAOB P27338 1/20 0.36
CCR1 P32246 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CTSK P43235 2/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL15420557 1.00 BTK (0.47) BTKRORCKDM1AMAOBCCR1
SCHEMBL15420433 1.00 BTK (0.47) BTKRORCKDM1AMAOBCCR1
SCHEMBL12989321 1.00 BTK (0.47) BTKRORCKDM1AMAOBCCR1
SCHEMBL20959100 1.00 BTK (0.47) BTKRORCKDM1AMAOBCCR1
SCHEMBL30565067 0.91 BTK (0.47) BTKRORCKDM1AMAOBCCR1
SCHEMBL20095940 0.87 BTK (0.40) BTKRORCKDM1AMAOBNFKB1
SCHEMBL9114187 0.87 BTK (0.47) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL20063805 0.87 BTK (0.40) BTKRORCKDM1AMAOBNFKB1
SCHEMBL9114179 0.87 BTK (0.47) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL29046634 0.87 BTK (0.47) BTKKDM1AMAOBNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026088-B Oxadiazole derivatives as HDAC inhibitors 武田药品工业株式会社 2021-02-12 CN disclosed
CN-111032651-A Heterocyclic compounds 武田药品工业株式会社 2020-04-17 CN disclosed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-10435399-B2 HDAC6 inhibitory heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-08 US disclosed
US-20190135799-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-09 US disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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-10435399-B2 HDAC6 inhibitory heterocyclic compound HDAC6, HDAC1, HDAC5 BTK 1431/4885RORC 386/4885KDM1A 101/4885
US-20190135799-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC5, HDAC6 BTK 1452/4885RORC 258/4885KDM1A 73/4885
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 BTK 774/4885RORC 1197/4885KDM1A 1683/4885

“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.