SCHEMBL3372996

SCHEMBL3372996

Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.63
TSHR P16473 2/20 0.63
POLB P06746 4/20 0.62
LMNA P02545 2/20 0.60
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
GFER P55789 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
TP53 P04637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL3175230 0.84 PKM (0.63) PKMTSHRPOLBLMNAKMT2A
SCHEMBL4056533 0.84 PKM (0.68) PKMTSHRPOLBLMNAKMT2A
SCHEMBL8198169 0.81 PKM (0.60) PKMTSHRPOLBLMNAKMT2A
SCHEMBL10154000 0.81 PKM (0.69) PKMTSHRPOLBLMNAKMT2A
SCHEMBL29878389 0.76 ALDH1A1 (0.53) PKMTSHRPOLBLMNAKMT2A
SCHEMBL3045237 0.76 ALDH1A1 (0.53) PKMTSHRPOLBLMNAKMT2A
SCHEMBL7505784 0.76 PKM (1.00) PKMTSHRPOLBLMNAKMT2A
SCHEMBL7765547 0.75 USP2 (0.56) PKMTSHRPOLBLMNAKMT2A
SCHEMBL16383905 0.75 MEN1 (0.77) PKMTSHRPOLBLMNAKMT2A
SCHEMBL7541039 0.75 PKM (0.75) PKMTSHRPOLBLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107098846-B N-acyl sulfonamide FBPase inhibitor, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-10-09 CN disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD PKM 1038/4885TSHR 4310/4885POLB 1098/4885

“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.