SCHEMBL20337372

SCHEMBL20337372

CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(F)(F)F)CC12CCN(C(=O)O)CC2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.34
HSD11B1 P28845 9/20 0.34
CTSK P43235 2/20 0.33
CYP2C9 P11712 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20337417 1.00 BTK (0.34) BTKHSD11B1CTSKCYP2C9CA1
SCHEMBL23028470 0.88 CTSK (0.34) BTKHSD11B1CTSKCYP2C9CA1
SCHEMBL22798665 0.85 BTK (0.37) BTKHSD11B1CTSKCYP2C9CA1
SCHEMBL18321912 0.85 BTK (0.37) BTKHSD11B1CTSKCYP2C9CA1
SCHEMBL18838482 0.85 CTSK (0.38) BTKHSD11B1CTSKCYP2C9CA1
SCHEMBL18838439 0.85 CTSK (0.38) BTKHSD11B1CTSKCYP2C9CA1
SCHEMBL22799108 0.84 BTK (0.36) BTKHSD11B1CTSKCYP2C9CA1
SCHEMBL28445812 0.82 BTK (0.34) BTKEPHX2MEN1MAPK1KMT2A
SCHEMBL18328497 0.82 BTK (0.34) BTKEPHX2MEN1MAPK1KMT2A
SCHEMBL18330207 0.81 KDM1A (0.44) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309663-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2021-10-07 US disclosed
US-10975080-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2021-04-13 US disclosed
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-20190185475-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-06-20 US 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
EP-3310779-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2019-05-08 EP 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 (7 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 BTK 51/4885HSD11B1 958/4885CTSK 4077/4885
US-10975080-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN5 BTK 68/4885HSD11B1 1424/4885CTSK 4197/4885
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN2 BTK 80/4885HSD11B1 1399/4885CTSK 4102/4885
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN3, PTPN1, PTPN2 BTK 51/4885HSD11B1 958/4885CTSK 4077/4885
US-20190185475-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN5 BTK 70/4885HSD11B1 1939/4885CTSK 3479/4885
US-20210309663-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN5 BTK 70/4885HSD11B1 1939/4885CTSK 3479/4885
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN2 BTK 68/4885HSD11B1 1390/4885CTSK 4150/4885

“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.