SCHEMBL25877435

SCHEMBL25877435

CC1(Nc2cc(S(C)(=O)=O)ccc2[N+](=O)[O-])COC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH3A1 P30838 4/20 0.42
PKM P14618 4/20 0.39
MAPT P10636 5/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
PTGS2 P35354 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL25877891 0.87 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL25877480 0.81 MAPT (0.38) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL24140902 0.80 G6PD (0.45) ALDH1A1MAPTPTGS2LMNA
SCHEMBL25877451 0.77 VCAM1 (0.44) ALDH1A1KMT2APKMMAPTMAPK1
SCHEMBL25877386 0.77 MAPK1 (0.47) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL25877473 0.76 LMNA (0.46) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL25877422 0.75 VCAM1 (0.48) ALDH1A1KMT2AMEN1PKMPOLB
SCHEMBL25877683 0.75 HTT (0.53) ALDH1A1KMT2AMEN1ALDH3A1MAPT
SCHEMBL20337694 0.73 MAPT (0.56) ALDH1A1KMT2AMEN1ALDH3A1MAPT
SCHEMBL25877536 0.72 KDM4E (0.44) ALDH1A1KMT2AMEN1PKMMAPT

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-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
WO-2021263079-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2021-12-30 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 (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-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF FEN1, ERCC4, DCLRE1B ALDH1A1 1451/4885KMT2A 3032/4885MEN1 2245/4885

“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.