SCHEMBL4527403

SCHEMBL4527403

CC(NS(=O)(=O)c1ccc(Cl)cc1)c1cn(CC(=O)O)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.47
S1PR1 P21453 2/20 0.47
KCNA5 P22460 3/20 0.46
BCL2 P10415 2/20 0.45
BCL2L1 Q07817 2/20 0.45
MCL1 Q07820 2/20 0.45
ADAM17 P78536 1/20 0.44
KCNH2 Q12809 1/20 0.44
EDNRA P25101 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
MMP2 P08253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 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
SCHEMBL698227 0.88 KMT2A (0.46) KMT2AALDH1A1S1PR1KCNA5BCL2
SCHEMBL698959 0.75 KCNA5 (0.71) KMT2AALDH1A1KCNA5MCL1KCNH2
SCHEMBL698228 0.74 KCNA5 (0.64) KMT2AALDH1A1KCNA5MCL1KCNH2
SCHEMBL1287455 0.70 MMP2 (0.48) KMT2AS1PR1CYP1A2CYP3A4CYP2D6
SCHEMBL1287323 0.70 MMP2 (0.48) KMT2AS1PR1CYP1A2CYP3A4CYP2D6
Acetic Acid SCHEMBL8970513 0.70 POLB (0.68) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1287280 0.69 ALDH1A1 (0.68) KMT2AALDH1A1S1PR1CYP1A2CYP3A4
SCHEMBL1287373 0.69 ALDH1A1 (0.68) KMT2AALDH1A1S1PR1CYP1A2CYP3A4
SCHEMBL28430478 0.69 ALDH1A1 (0.56) KMT2AALDH1A1KDM4EPOLB
SCHEMBL4785038 0.67 S1PR1 (0.59) KMT2AS1PR1CYP2D6CYP2C19KDM4E

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
WO-2021066136-A1 THERAPEUTIC AGENT FOR MUSCULAR DYSTROPHY 国立大学法人東京大学 2021-04-08 WO disclosed
US-20090258922-A1 COMPOUND EXHIBITING PGD2 RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. 2009-10-15 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-20090258922-A1 COMPOUND EXHIBITING PGD2 RECEPTOR ANTAGONIST CYSLTR2, CYSLTR1, HRH2 KMT2A 2023/4885ALDH1A1 1713/4885S1PR1 226/4885

“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.