SCHEMBL2679650

SCHEMBL2679650

O=C1COc2ccc(S)cc2N1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.65
PARP1 P09874 3/20 0.59
ALDH1A1 P00352 6/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 4/20 0.54
PKM P14618 2/20 0.51
GAA P10253 2/20 0.50
NR3C2 P08235 4/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL993786 0.82 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30015279 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL279594 0.79 MMP12 (1.00) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL29452973 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL302933 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL861110 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL707058 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8184077 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL277585 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4137452 0.79 MMP12 (0.65) MMP12PARP1ALDH1A1KMT2ASMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024112918-A1 RNA DEGRADERS AND USES THEREOF ARRAKIS THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
EP-4108659-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS Jacobio Pharmaceuticals Co., Ltd. (CN) 2022-12-28 EP disclosed
WO-2022081912-A2 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-04-21 WO disclosed
EP-3464272-B1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO LTD (CN) 2021-12-08 EP disclosed
US-10858359-B2 Heterocyclic ring derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-08 US disclosed
US-20190127378-A1 NOVEL HETEROCYCLIC RING DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2019-05-02 US disclosed
WO-2017211303-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2017-12-14 WO disclosed
WO-2017199265-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION BUGWORKS RESEARCH INDIA PVT LTD (IN) 2017-11-23 WO disclosed
US-8680139-B2 Anti-neoplastic compounds, compositions and methods PROGENRA (US) 2014-03-25 US disclosed
US-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA 2012-05-10 US disclosed
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 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-10858359-B2 Heterocyclic ring derivatives useful as SHP2 inhibitors PTPRJ, PTPN22, PTPRCAP MMP12 2080/4885PARP1 4690/4885ALDH1A1 3089/4885
US-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS SERPINB1, TP53, CTSE MMP12 258/4885PARP1 1113/4885ALDH1A1 2579/4885
US-20190127378-A1 NOVEL HETEROCYCLIC RING DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN22, PTPN1, PTPRJ MMP12 2594/4885PARP1 4789/4885ALDH1A1 3156/4885

“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.