SCHEMBL20337484

SCHEMBL20337484

CC(C)(C)OC(=O)N1CCC2(CCC/C2=N\[S@+]([O-])C(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ GPR119 Q8TDV5 3/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL29959213 1.00 USP2 (0.37) USP2SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL31184416 1.00 USP2 (0.37) USP2SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL18320481 1.00 USP2 (0.37) USP2SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL29366691 0.93 USP2 (0.38) USP2SMN1; SMN2HPGDUSP30MAPT
SCHEMBL31336522 0.93 USP2 (0.38) USP2SMN1; SMN2HPGDUSP30MAPT
SCHEMBL18320482 0.88 ESR2 (0.34) USP2SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL31566827 0.86 USP30 (0.41) USP2SMN1; SMN2USP30HDAC1HDAC8
SCHEMBL30577842 0.79 CHRM2 (0.35) USP2SMN1; SMN2USP30MAPTKDM4E
SCHEMBL19641205 0.79 USP2 (0.37) USP2SMN1; SMN2USP30HRH3MAPT
SCHEMBL19641204 0.79 USP2 (0.37) USP2SMN1; SMN2USP30HRH3MAPT

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-3310771-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-07-22 — — EP disclosed
EP-3310774-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-04-29 — — EP disclosed
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-06-04 — — US disclosed
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-05-14 — — US disclosed
US-20180251471-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-09-06 — — US disclosed
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 — — US 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-20180251471-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN3, PTPN1, PTPN2 USP2 2277/4885SMN1; SMN2 1937/4885HPGD 4568/4885
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN2 USP2 2147/4885SMN1; SMN2 2344/4885HPGD 4589/4885
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN3, PTPN1, PTPN2 USP2 2277/4885SMN1; SMN2 1937/4885HPGD 4568/4885
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN2 USP2 2225/4885SMN1; SMN2 2360/4885HPGD 4649/4885

“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.

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