SCHEMBL25285402

SCHEMBL25285402

CC1(C)OCC(C)(C)C(C(=O)NCCC(=O)Cc2ccc(OC(F)(F)F)cc2)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.49
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX2 P34913 3/20 0.39
LTA4H P09960 1/20 0.39
NR1H4 Q96RI1 1/20 0.37
HTR2C P28335 2/20 0.37
SOAT1 P35610 1/20 0.37
CACNA1H O95180 1/20 0.37
GCGR P47871 1/20 0.35
MMP9 P14780 4/20 0.35
MMP1 P03956 3/20 0.35
MMP2 P08253 3/20 0.35
MMP3 P08254 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
MMP14 P50281 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 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
SCHEMBL25285401 1.00 VNN1 (0.49) VNN1CYP3A4CYP2C9CYP2C19EPHX2
SCHEMBL28124690 0.69 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19EPHX2NR1H4
SCHEMBL23365839 0.68 SOAT1 (0.40) EPHX2SOAT1
SCHEMBL25285515 0.67 SOAT1 (0.42) SOAT1
SCHEMBL25285516 0.67 SOAT1 (0.42) SOAT1
SCHEMBL23365842 0.67 SOAT1 (0.40) SOAT1
SCHEMBL25282093 0.66 VNN1 (1.00) VNN1EPHX2LTA4HNR1H4GCGR
SCHEMBL25282094 0.66 VNN1 (1.00) VNN1EPHX2LTA4HNR1H4GCGR
SCHEMBL23365821 0.66 SOAT1 (0.41) SOAT1
SCHEMBL2251955 0.64 VNN1 (0.51) VNN1EPHX2LTA4HNR1H4CACNA1H

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-12128016-B2 Vanin-1 inhibitor EDUCATIONAL FOUNDATION OF OSAKA MEDICAL AND PHARMACEUTICAL UNIVERSITY (JP) 2024-10-29 US disclosed
US-20240277639-A1 VANIN-1 INHIBITOR EDUCATIONAL FOUNDATION OF OSAKA MEDICAL AND PHARMACEUTICAL UNIVERSITY (JP) 2024-08-22 US disclosed
WO-2023112440-A1 VANIN-1 INHIBITOR 学校法人大阪医科薬科大学 2023-06-22 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-20240277639-A1 VANIN-1 INHIBITOR VNN1, PANK1, VAT1 VNN1 1/4885CYP3A4 1988/4885CYP2C9 1958/4885
US-12128016-B2 Vanin-1 inhibitor VNN1, PANK1, VAT1 VNN1 1/4885CYP3A4 1988/4885CYP2C9 1958/4885

“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.