SCHEMBL24013334

SCHEMBL24013334

C[C@@H]1OCC2(CCN(C(=O)OC(C)(C)C)CC2)/C1=N/[S@+]([O-])C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ GPR119 Q8TDV5 8/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 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
SCHEMBL23002557 0.79 USP2 (0.45) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL18330214 0.79 USP2 (0.45) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL16914257 0.79 USP2 (0.45) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL20337394 0.78 GPR119 (0.39) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL31184216 0.78 GPR119 (0.39) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL20337395 0.78 GPR119 (0.39) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL20337397 0.78 GPR119 (0.39) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL31336522 0.77 USP2 (0.38) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL29366691 0.77 USP2 (0.38) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL19641205 0.75 USP2 (0.37) USP2SMN1; SMN2KDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210346375-A1 PROCESS OF MANUFACTURE OF A COMPOUND FOR INHIBITING THE ACTIVITY OF SHP2, AS WELL AS PRODUCTS RESULTING FROM ACID ADDITION NOVARTIS AG (CH) 2021-11-11 — — 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 (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-20210346375-A1 PROCESS OF MANUFACTURE OF A COMPOUND FOR INHIBITING THE ACTIVITY OF SHP2, AS WELL AS PRODUCTS RESULTING FROM ACID ADDITION PTPN5, PTPN7, PTPN1 USP2 2291/4885SMN1; SMN2 3575/4885KDM4E 1572/4885

“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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