SCHEMBL22980358

SCHEMBL22980358

COc1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.37
SYK P43405 1/20 0.34
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
PAX8 Q06710 1/20 0.30
CSNK2A1 P68400 1/20 0.30
HIPK2 Q9H2X6 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
SOS1 Q07889 1/20 0.30

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
SCHEMBL20580580 0.82 SSTR4 (0.38) SSTR4SYKPAX8SOS1
SCHEMBL31330243 0.82 SSTR4 (0.44) SSTR4SYKMTNR1AMTNR1BPAX8
SCHEMBL29736597 0.82 SSTR4 (0.44) SSTR4SYKMTNR1AMTNR1BPAX8
SCHEMBL24103634 0.81 SSTR4 (0.43) SSTR4SYKPAX8SOS1
SCHEMBL30420159 0.81 SSTR4 (0.43) SSTR4SYKPAX8SOS1
SCHEMBL23089228 0.81 SYK (0.37) SSTR4SYKAAK1SOS1
SCHEMBL29424938 0.81 SYK (0.37) SSTR4SYKAAK1SOS1
SCHEMBL23107325 0.80 SSTR4 (0.37) SSTR4SYKPAX8SOS1
SCHEMBL24103619 0.80 SSTR4 (0.37) SSTR4SYKPAX8SOS1
SCHEMBL29845582 0.80 SSTR4 (0.37) SSTR4SYKPAX8SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 US disclosed
CN-114728935-A SHP2 inhibitor IRBM股份公司 2022-07-08 CN disclosed
EP-4010335-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-06-15 EP disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 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 (1 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-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 SSTR4 3589/4885SYK 122/4885MTNR1A 2814/4885

“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.