SCHEMBL28525675

SCHEMBL28525675

COc1ccc(CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 3/20 0.50
TP53 P04637 3/20 0.48
STS P08842 1/20 0.46
BACE1 P56817 2/20 0.45
CTSD P07339 1/20 0.45
CTSE P14091 1/20 0.45
MMP13 P45452 2/20 0.43
ADAM17 P78536 2/20 0.43
KDM1A O60341 1/20 0.43
EPHX2 P34913 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL27090299 0.90 LMNA (0.54) LMNAMAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL21561480 0.87 ACHE (0.50) LMNASTSGPR119KDM4E
SCHEMBL27229519 0.86 MAPT (0.50) LMNAMAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL22911800 0.86 SMN1; SMN2 (0.50) LMNAMAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL19641201 0.85 ALDH1A1 (0.48) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL27090313 0.83 LMNA (0.53) LMNAMAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL31099142 0.81 LMNA (0.49) LMNAMAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL2799751 0.80 KEAP1 (0.43) LMNAMAPTTP53GPR119
SCHEMBL12493302 0.80 MAPT (0.55) LMNAMAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL27440698 0.80 ACHE (0.49) LMNATP53STSGPR119KDM4E

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-11932643-B2 Substituted heterocyclic inhibitors of PTPN11 NAVIRE PHARMA, INC. (US) 2024-03-19 US disclosed
US-11840536-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-12-12 US disclosed
CN-112351780-B Substituted heterocyclic inhibitors of PTPN11 纳维尔制药有限公司 2023-12-01 CN disclosed
US-20230109858-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-04-13 US disclosed
US-11466017-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-10-11 US disclosed
EP-3463343-B1 HETEROCYCLIC INHIBITORS OF PTPN11 UNIV TEXAS (US) 2022-03-23 EP disclosed
CN-109475531-B Heterocyclic inhibitors of PTPN11 得克萨斯州立大学董事会 2021-08-17 CN disclosed
CN-112351780-A Substituted heterocyclic inhibitors of PTPN11 纳维尔制药有限公司 2021-02-09 CN 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 (4 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-11466017-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP LMNA 4833/4885MAPT 4553/4885SMN1; SMN2 4183/4885
US-20230109858-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP LMNA 4833/4885MAPT 4553/4885SMN1; SMN2 4183/4885
US-11932643-B2 Substituted heterocyclic inhibitors of PTPN11 PTPN11, PTPRJ, PTPRCAP LMNA 4851/4885MAPT 4707/4885SMN1; SMN2 4080/4885
US-11840536-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP LMNA 4833/4885MAPT 4553/4885SMN1; SMN2 4183/4885

“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.