SCHEMBL20958896

SCHEMBL20958896

CC(C)(C)OC(=O)N1CCC(F)(F)CC1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.46
FKBP1A P62942 12/20 0.46
CTSL P07711 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
PARP1 P09874 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
SCHEMBL18591124 0.89 FKBP1A (0.45) KLK7FKBP1ACTSLPDK1PDK2
SCHEMBL6788747 0.89 FKBP1A (0.45) KLK7FKBP1ACTSLPDK1PDK2
SCHEMBL934333 0.88 KLK7 (0.47) KLK7FKBP1ACTSLMEN1KMT2A
SCHEMBL18084468 0.88 KLK7 (0.47) KLK7FKBP1ACTSLMEN1KMT2A
Hydrochloric Acid SCHEMBL26098363 0.87 KLK7 (0.46) KLK7FKBP1ACTSLMEN1KMT2A
Hydrochloric Acid SCHEMBL26098360 0.87 KLK7 (0.46) KLK7FKBP1ACTSLMEN1KMT2A
SCHEMBL18018255 0.84 FKBP1A (0.44) KLK7FKBP1ACTSLMEN1KMT2A
SCHEMBL12480502 0.84 FKBP1A (0.44) KLK7FKBP1ACTSLMEN1KMT2A
SCHEMBL18578105 0.84 FKBP1A (0.44) KLK7FKBP1ACTSLMEN1KMT2A
SCHEMBL2124213 0.84 NPSR1 (0.48) FKBP1AMEN1KMT2A

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
CN-111032651-A Heterocyclic compounds 武田药品工业株式会社 2020-04-17 CN 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

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-10435399-B2 HDAC6 inhibitory heterocyclic compound HDAC6, HDAC1, HDAC5 KLK7 4645/4885FKBP1A 931/4885CTSL 4422/4885
US-20190135799-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC5, HDAC6 KLK7 4809/4885FKBP1A 685/4885CTSL 4347/4885

“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.