SCHEMBL24249397

SCHEMBL24249397

O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCCN(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
CYP3A4 P08684 5/20 0.45
CYP1A2 P05177 4/20 0.45
TSHR P16473 4/20 0.45
CYP2D6 P10635 4/20 0.45
USP2 O75604 3/20 0.45
KMT2A Q03164 2/20 0.44
PKM P14618 2/20 0.44
NR3C1 P04150 1/20 0.44
ALDH1A1 P00352 4/20 0.43
DPP4 P27487 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL12333837 0.87 RECQL (0.44) TSHRKMT2AALDH1A1MEN1POLB
Toluene SCHEMBL2464816 0.85 KMT2A (0.43) KMT2AALDH1A1MEN1POLBGAA
SCHEMBL2464539 0.85 KMT2A (0.40) HSD11B1KMT2AMEN1POLBGAA
SCHEMBL7516057 0.84 HSD11B1 (0.48) HSD11B1CYP3A4CYP1A2TSHRCYP2D6
SCHEMBL2463018 0.82 KDM4E (0.51) CYP3A4TSHRCYP2D6USP2KMT2A
SCHEMBL2462081 0.82 KDM4E (0.51) CYP3A4TSHRCYP2D6USP2KMT2A
SCHEMBL19862764 0.80 KMT2A (0.41) KMT2AALDH1A1MEN1POLBGAA
SCHEMBL8877209 0.76 CYP2D6 (0.57) HSD11B1CYP2D6USP2KMT2APKM
SCHEMBL22875225 0.74 LMNA (0.33) HSD11B1KMT2APKMNR3C1ALDH1A1
SCHEMBL2701428 0.72 KMT2A (0.55) HSD11B1CYP2D6USP2KMT2APKM

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-20220048925-A1 Substituted 3,4,12,12a-Tetrahydro-1H-[1,4]Oxazino[3,4-c]Pyrido[2,1-f][1,2,4]Triazine-6,8-dione, Pharmaceutical Composition, Method for the Production and Use Thereof VIRIOM, INC. 2022-02-17 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-20220048925-A1 Substituted 3,4,12,12a-Tetrahydro-1H-[1,4]Oxazino[3,4-c]Pyrido[2,1-f][1,2,4]Triazine-6,8-dione, Pharmaceutical Composition, Method for the Production and Use Thereof H1-3, H1-5, H1-0 HSD11B1 226/4885CYP3A4 524/4885CYP1A2 378/4885

“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.