SCHEMBL25518489

SCHEMBL25518489

CN(CC#N)S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
CCR5 P51681 1/20 0.49
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HSD11B1 P28845 1/20 0.43
KDM4E B2RXH2 3/20 0.43
NR1H3 Q13133 1/20 0.42
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR2 Q92731 1/20 0.41
PSIP1 O75475 1/20 0.41
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL2332202 0.82 CA12 (0.53) GLAALDH1A1TDP1KDM4EMMP9
SCHEMBL30565254 0.81 CCR5 (0.49) CCR5ALDH1A1LMNAAPOBEC3GTDP1
SCHEMBL4518188 0.80 GLA (0.40) GLACCR5ALDH1A1LMNANR1H3
Hydrochloric Acid SCHEMBL30639440 0.80 CCR5 (0.47) CCR5ALDH1A1LMNAAPOBEC3GTDP1
SCHEMBL25518493 0.79 GLA (0.60) GLAALDH1A1LMNATDP1MEN1
SCHEMBL25516484 0.79 GLA (0.47) GLACCR5APOBEC3GTDP1KDM4E
SCHEMBL13756104 0.78 GLA (0.47) GLAALDH1A1LMNATDP1HSD11B1
SCHEMBL11184672 0.78 CCR5 (0.56) CCR5ALDH1A1LMNAAPOBEC3GTDP1
SCHEMBL5191089 0.76 CCR5 (0.59) CCR5ALDH1A1LMNAAPOBEC3GTDP1
SCHEMBL25702584 0.76 KMT2A (0.50) GLAAPOBEC3GTDP1HSD11B1KDM4E

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-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-05-25 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-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF HDAC6, PSMG3, PSMB2 GLA 1167/4885CCR5 4784/4885ALDH1A1 2269/4885

“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.