SCHEMBL22142011

SCHEMBL22142011

C[C@H]1C(C(C)(C)C)=CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
ATM Q13315 2/20 0.36
HSD11B1 P28845 1/20 0.36
NPC1 O15118 1/20 0.36
GPR119 Q8TDV5 4/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
NR1H2 P55055 1/20 0.35

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
SCHEMBL22142007 1.00 MAPK1 (0.37) MAPK1ATMHSD11B1NPC1GPR119
SCHEMBL22142000 1.00 MAPK1 (0.37) MAPK1ATMHSD11B1NPC1GPR119
SCHEMBL22142862 0.84 GPR119 (0.39) MAPK1NPC1GPR119USP2SMN1; SMN2
SCHEMBL22142936 0.84 GPR119 (0.39) MAPK1NPC1GPR119USP2SMN1; SMN2
SCHEMBL22142845 0.84 GPR119 (0.39) MAPK1NPC1GPR119USP2SMN1; SMN2
SCHEMBL22142119 0.81 SMN1; SMN2 (0.37) SMN1; SMN2THRB
SCHEMBL22142116 0.81 SMN1; SMN2 (0.37) SMN1; SMN2THRB
SCHEMBL22142250 0.81 SMN1; SMN2 (0.37) SMN1; SMN2THRB
SCHEMBL27533386 0.78 GPR119 (0.36) MAPK1NPC1GPR119USP2SMN1; SMN2
SCHEMBL22142012 0.77 BLM (0.34) USP2MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168093-B2 Thienopyridine inhibitors of RIPK2 CELGENE CORPORATION (US) 2021-11-09 US disclosed
US-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 CELGENE CORPORATION 2020-06-25 US disclosed
WO-2020132384-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 CELGENE CORPORATION (US) 2020-06-25 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 (2 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-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 MAPK1 1680/4885ATM 3190/4885HSD11B1 4721/4885
US-11168093-B2 Thienopyridine inhibitors of RIPK2 RIPK2, RIPK1, RIPK4 MAPK1 1680/4885ATM 3190/4885HSD11B1 4721/4885

“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.