SCHEMBL20163038

SCHEMBL20163038

CC(C)(C)OC(=O)NN(C(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)s1)c1cccc(-c2cccs2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.46
GBA1 P04062 1/20 0.44
TGFBR1 P36897 1/20 0.41
ABL1 P00519 2/20 0.37
BCR P11274 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ACKR3 P25106 2/20 0.36
KIT P10721 2/20 0.35
MMP13 P45452 3/20 0.35
MMP1 P03956 2/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
GLS O94925 1/20 0.33

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 0.89 GPR119 (0.41) GPR119GBA1HDAC3HDAC2KIT
SCHEMBL20163136 0.87 GPR119 (0.45) GPR119GBA1TGFBR1ABL1BCR
SCHEMBL20163147 0.86 GPR119 (0.42) GPR119HDAC3HDAC2ACKR3KIT
SCHEMBL20163043 0.86 GPR119 (0.43) GPR119TGFBR1HDAC3HDAC2ACKR3
SCHEMBL20163026 0.83 GBA1 (0.45) GPR119GBA1TGFBR1ABL1BCR
SCHEMBL20163149 0.83 GBA1 (0.46) GPR119GBA1TGFBR1ABL1BCR
SCHEMBL20163084 0.82 HDAC3 (0.46) GPR119GBA1TGFBR1HDAC3HDAC1
SCHEMBL20163104 0.82 GPR119 (0.44) GPR119GBA1TGFBR1ABL1BCR
SCHEMBL20163040 0.79 CTSS (0.42) GPR119GBA1ACKR3KITCKS1B
SCHEMBL20176406 0.77 GBA1 (0.45) GPR119GBA1TGFBR1HDAC3HDAC1

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 GPR119 1458/4885GBA1 1193/4885TGFBR1 2400/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GPR119 1354/4885GBA1 1246/4885TGFBR1 2128/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1560/4885GBA1 1311/4885TGFBR1 3120/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 GPR119 2449/4885GBA1 1176/4885TGFBR1 3081/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1880/4885GBA1 1072/4885TGFBR1 3207/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 GPR119 1560/4885GBA1 1311/4885TGFBR1 3120/4885

“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.