SCHEMBL21146121

SCHEMBL21146121

CC(C)C(C)C(=O)N1C(C)CC[C@H]1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.35
DPP4 P27487 2/20 0.35
PIK3CD O00329 1/20 0.33
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19528227 0.86 PHGDH (0.41) PHGDHDPP4RECQLMEN1ALDH1A1
SCHEMBL19658092 0.86 PHGDH (0.41) PHGDHDPP4RECQLMEN1ALDH1A1
SCHEMBL15038544 0.86 PHGDH (0.41) PHGDHDPP4RECQLMEN1ALDH1A1
SCHEMBL15033777 0.85 PHGDH (0.35) PHGDHDPP4PIK3CDRECQLMEN1
SCHEMBL21145954 0.83 DPP4 (0.32) PHGDHDPP4
SCHEMBL19658164 0.83 DPP4 (0.37) PHGDHDPP4
SCHEMBL20467016 0.81 DPP4 (0.41) PHGDHDPP4PIK3CDRECQLMEN1
SCHEMBL18994085 0.77 PIK3CD (0.30) PIK3CD
SCHEMBL15033766 0.77 DPP4 (0.31) PHGDHDPP4
SCHEMBL15033795 0.77 DPP4 (0.35) PHGDHDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800789-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-13 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 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 (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-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 PHGDH 2018/4885DPP4 77/4885PIK3CD 1022/4885
US-10800789-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 PHGDH 2273/4885DPP4 136/4885PIK3CD 785/4885

“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.