SCHEMBL20526458

SCHEMBL20526458

O=c1[nH]c(=O)n([C@]2(O)C[C@H](O)[C@@H](CO)O2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.46
TK1 P04183 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX12 P18054 1/20 0.36
ADRA1A P35348 1/20 0.36
TK2 O00142 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4809531 0.85 TK1 (0.44) TK1LMNATSHRBLMPMP22
SCHEMBL8110184 0.85 LMNA (0.51) TK1SMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL5052901 0.85 PYGM (0.46) PYGMTK1SMN1; SMN2LMNACYP1A2
SCHEMBL28040328 0.83 PYGM (0.45) PYGMTK1SMN1; SMN2LMNACYP1A2
SCHEMBL28749266 0.82 PYGM (0.44) PYGMTK1SMN1; SMN2LMNACYP1A2
SCHEMBL28786348 0.78 SLC28A1 (0.45)
SCHEMBL5614068 0.74 PYGM (0.50) PYGMTK1SMN1; SMN2LMNAALOX12
SCHEMBL4542149 0.72 TK1 (0.43) TK1LMNATSHRBLMPMP22
SCHEMBL6830454 0.72 TK1 (0.43) TK1LMNATSHRBLMPMP22
SCHEMBL29364921 0.72 TK1 (0.45) TK1LMNATSHRBLMPMP22

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
CN-113528446-A Culture medium and pharmaceutical composition for chemically inducing direct reprogramming transformation of human tumor cells into non-tumorigenic cells 海门雨霖细胞科技有限责任公司 2021-10-22 CN disclosed
CN-106806894-B Method for inducing direct reprogramming of human tumor cells into non-tumorigenic cells by using small molecule composition 海门雨霖细胞科技有限责任公司 2021-06-25 CN disclosed
EP-3384929-B1 METHOD FOR USING SMALL MOLECULE COMPOUNDS TO INDUCE HUMAN TUMOR CELLS TO BE DIRECTLY REPROGRAMMED INTO NON-ONCOGENIC CELLS TRANSCEND CYTOTHERAPY CO LTD (CN) 2021-06-16 EP disclosed
US-10463641-B2 Method for using small molecule compounds to induce human tumor cells to be directly reprogrammed into non-oncogenic cells TRANSCEND CYTOTHERAPY CO., LTD (CN) 2019-11-05 US disclosed
US-20180353454-A1 Method for Using Small Molecule Compounds to Induce Human Tumor Cells to Be Directly Reprogrammed Into Non-Oncogenic Cells Transcend Cytotherapy Co.,Ltd (CN) 2018-12-13 US disclosed
EP-3384929-A1 METHOD FOR USING SMALL MOLECULE COMPOUNDS TO INDUCE HUMAN TUMOR CELLS TO BE DIRECTLY REPROGRAMMED INTO NON-ONCOGENIC CELLS Transcend Cytotherapy Co., Ltd (CN) 2018-10-10 EP 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-10463641-B2 Method for using small molecule compounds to induce human tumor cells to be directly reprogrammed into non-oncogenic cells MCL1, HRAS, TP53 PYGM 3083/4885TK1 1123/4885SMN1; SMN2 4486/4885
US-20180353454-A1 Method for Using Small Molecule Compounds to Induce Human Tumor Cells to Be Directly Reprogrammed Into Non-Oncogenic Cells MCL1, HRAS, TP53 PYGM 3083/4885TK1 1123/4885SMN1; SMN2 4486/4885

“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.