SCHEMBL24010104

SCHEMBL24010104

COc1cc2ncnc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.55
PIK3CA P42336 2/20 0.55
PIK3CB P42338 2/20 0.55
PIK3CG P48736 2/20 0.55
NSD2 O96028 2/20 0.51
EPHA2 P29317 5/20 0.48
ENPP1 P22413 3/20 0.48
EPHB4 P54760 2/20 0.47
KDR P35968 1/20 0.47
MAPK7 Q13164 1/20 0.46
ERBB2 P04626 1/20 0.46
EHMT2 Q96KQ7 2/20 0.46
BRAF P15056 1/20 0.46
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46

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
SCHEMBL30288433 1.00 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGNSD2
SCHEMBL5828984 0.87 EPHA2 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGNSD2
SCHEMBL664787 0.87 EPHA2 (0.52) PIK3CDPIK3CAPIK3CBPIK3CGNSD2
SCHEMBL17179600 0.87 EPHA2 (0.52) PIK3CDPIK3CAPIK3CBPIK3CGNSD2
SCHEMBL5827776 0.84 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL3132645 0.83 EPHA2 (0.55) PIK3CDPIK3CAPIK3CBPIK3CGNSD2
SCHEMBL1401725 0.82 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL666523 0.81 RAF1 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL4380906 0.81 RAF1 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL1401690 0.81 KDR (0.59) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
CN-115996912-A Iminothiolanone inhibitors of ENPP1 沃拉斯查疗法公司 2023-04-21 CN disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 PIK3CD 525/4885PIK3CA 430/4885PIK3CB 288/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 PIK3CD 525/4885PIK3CA 430/4885PIK3CB 288/4885

“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.