SCHEMBL25323974

SCHEMBL25323974

COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 1.00
PKM P14618 1/20 1.00
KDM4E B2RXH2 6/20 0.73
ALDH1A1 P00352 2/20 0.73
ATM Q13315 1/20 0.73
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
MAPK1 P28482 2/20 0.71
TP53 P04637 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.67
CYP2C19 P33261 2/20 0.65
CYP2C9 P11712 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
HSD17B10 Q99714 1/20 0.65
TDP1 Q9NUW8 2/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.59

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
SCHEMBL19002261 0.85 POLB (0.73) POLBPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL3035973 0.83 POLB (0.76) POLBPKMKDM4EALDH1A1ATM
SCHEMBL27856022 0.83 POLB (0.70) POLBPKMALDH1A1SMN1; SMN2HTT
SCHEMBL19049377 0.81 HRH3 (0.71) POLBPKMALDH1A1ATMMEN1
SCHEMBL6630360 0.81 SIGMAR1 (0.69) POLBPKMKDM4EALDH1A1MEN1
SCHEMBL2766451 0.81 POLB (0.67) POLBPKMALDH1A1MEN1KMT2A
SCHEMBL1043952 0.79 SIGMAR1 (0.85) POLBPKMALDH1A1MAPK1SMN1; SMN2
SCHEMBL20804352 0.79 SIGMAR1 (0.85) POLBPKMALDH1A1MAPK1SMN1; SMN2
SCHEMBL19285228 0.79 SIGMAR1 (0.85) POLBPKMALDH1A1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL10860603 0.79 POLB (0.65) POLBPKMKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472956-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE Bristol-Myers Squibb Company (US) 2024-12-11 EP disclosed
US-12162848-B2 Inhibitors of protein tyrosine phosphatase, compositions, and methods of use BRISTOL-MYERS SQUIBB COMPANY (US) 2024-12-10 US disclosed
CN-118660875-A Protein tyrosine phosphatase inhibitors, compositions, and methods of use 百时美施贵宝公司 2024-09-17 CN disclosed
US-20230322695-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY 2023-10-12 US disclosed
US-20230322695-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY 2023-10-12 US disclosed
WO-2023147531-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-03 WO 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-20230322695-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPN2, PTPN22, PTPN5 POLB 3818/4885PKM 1024/4885KDM4E 1897/4885
US-12162848-B2 Inhibitors of protein tyrosine phosphatase, compositions, and methods of use PTPN2, PTPN22, PTPN5 POLB 3818/4885PKM 1024/4885KDM4E 1897/4885

“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.