SCHEMBL20163040

SCHEMBL20163040

CC(C)(C)OC(=O)NN(C(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cs1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
KIT P10721 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ESR2 Q92731 1/20 0.40
ALK Q9UM73 1/20 0.40
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
PIK3CA P42336 1/20 0.40
NAMPT P43490 1/20 0.39
USP30 Q70CQ3 2/20 0.39
BACE1 P56817 1/20 0.39
WNT3A P56704 1/20 0.39
VCP P55072 1/20 0.38
CETP P11597 1/20 0.38

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
SCHEMBL20163129 0.83 GPR119 (0.41) CTSSCTSKKITALKCKS1B
SCHEMBL20163038 0.79 GPR119 (0.46) JAK2JAK3KITCKS1BSKP1
SCHEMBL20163158 0.79 GPR119 (0.42) KITALKCKS1BSKP1SKP2
SCHEMBL20163127 0.79 CKS1B (0.41) JAK2JAK3KITALKCKS1B
SCHEMBL20163147 0.78 GPR119 (0.42) CTSSCTSKJAK2JAK3KIT
SCHEMBL20163042 0.77 HDAC1 (0.53) CTSSCTSKJAK2JAK3KIT
SCHEMBL20163043 0.77 GPR119 (0.43) KITMAPTCKS1BSKP1SKP2
SCHEMBL20163131 0.76 KIT (0.47) KITALKCKS1BSKP1SKP2
SCHEMBL20163014 0.76 TBK1 (0.50) KITCKS1BSKP1SKP2GPR119
SCHEMBL20163021 0.76 CKS1B (0.45) KITMAPTCKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-01-03 US disclosed
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2020-12-03 US disclosed
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2020-09-15 US disclosed
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2019-10-31 US disclosed
EP-3544969-A1 PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS Regenacy Pharmaceuticals, LLC (US) 2019-10-02 EP disclosed
US-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2019-08-20 US disclosed
WO-2018098296-A1 PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC (US) 2018-05-31 WO disclosed
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 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 (6 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-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 CTSS 1334/4885CTSK 1311/4885JAK2 2016/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 CTSS 1534/4885CTSK 1548/4885JAK2 2026/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 CTSS 1015/4885CTSK 798/4885JAK2 3303/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 CTSS 1231/4885CTSK 1452/4885JAK2 1884/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 CTSS 1255/4885CTSK 1474/4885JAK2 2123/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 CTSS 1015/4885CTSK 798/4885JAK2 3303/4885

“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.