SCHEMBL62827

SCHEMBL62827

O=C(Nc1ccc(S)cc1)C1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.71
HPGD P15428 1/20 0.66
RAB9A P51151 1/20 0.59
NAMPT P43490 1/20 0.58
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 1/20 0.55
STS P08842 1/20 0.55
PTPN2 P17706 1/20 0.55
ENPP3 O14638 1/20 0.55
ENPP1 P22413 1/20 0.55
GAA P10253 1/20 0.54
GFER P55789 1/20 0.54

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
SCHEMBL12460635 0.96 PTPN1 (0.66) PTPN1HPGDRAB9ANAMPTLMNA
SCHEMBL375186 0.92 NAMPT (0.67) PTPN1HPGDRAB9ANAMPTLMNA
SCHEMBL28656982 0.88 PTPN1 (0.89) PTPN1HPGDRAB9ANAMPTLMNA
SCHEMBL125695 0.88 PTPN1 (0.89) PTPN1HPGDRAB9ANAMPTLMNA
SCHEMBL1339196 0.81 PTPN1 (0.71) PTPN1HPGDRAB9ANAMPTLMNA
SCHEMBL9198985 0.81 PTPN1 (0.71) PTPN1HPGDRAB9ANAMPTLMNA
SCHEMBL29057710 0.81 PTPN1 (0.77) PTPN1HPGDRAB9ANAMPTLMNA
SCHEMBL94785 0.81 PTPN1 (0.71) PTPN1HPGDRAB9ANAMPTLMNA
SCHEMBL4448787 0.81 PTPN1 (0.71) PTPN1HPGDRAB9ANAMPTLMNA
SCHEMBL42558 0.81 PTPN1 (0.71) PTPN1HPGDRAB9ANAMPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4130014-A1 DEUTERATED OXOPHENYLARSINE COMPOUND AND USE THEREOF Nuo-Beta Pharmaceutical Technology (Shanghai) Co., Ltd. (CN) 2023-02-08 EP disclosed
EP-3290525-B1 METHOD FOR SCREENING DRUG AND THERAPEUTIC TARGET USED FOR TREATING ALZHEIMER'S DISEASE JIANGSU NUO BETA PHARMACEUTICAL TECH CO LTD (CN) 2022-02-23 EP disclosed
EP-3290525-A1 METHOD FOR SCREENING DRUG AND THERAPEUTIC TARGET USED FOR TREATING ALZHEIMER'S DISEASE Jiangsu Nuo-Beta Pharmaceutical Technology Co., Ltd. (CN) 2018-03-07 EP disclosed
EP-3290514-A1 APPLICATION OF PI4KIII PROTEIN AND RELATED MEMBRANE PROTEIN COMPLEX IN TREATING ALZHEIMER'S DISEASE Jiangsu Nuo-Beta Pharmaceutical Technology Co., Ltd. (CN) 2018-03-07 EP disclosed
EP-1948193-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2015-01-07 EP disclosed
EP-1948193-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2015-01-07 EP disclosed
US-20120142660-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-07 US disclosed
US-8129399-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-20090181938-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-16 US disclosed
US-7528142-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-05 US disclosed
EP-1948193-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2008-07-30 EP disclosed
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 US disclosed
WO-2007056164-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 WO disclosed
WO-2007056164-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 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 (3 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-20120142660-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 PTPN1 637/4885HPGD 2009/4885RAB9A 2828/4885
US-20090181938-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 PTPN1 637/4885HPGD 2009/4885RAB9A 2828/4885
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 PTPN1 637/4885HPGD 2009/4885RAB9A 2828/4885

“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.