SCHEMBL25524117

SCHEMBL25524117

CCCCCCCC(CCCCC)N(C)S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.53
▸ CCR5 P51681 1/20 0.43
▸ ESR1 P03372 1/20 0.40
▸ NR1I2 O75469 2/20 0.40
▸ PTGES O14684 2/20 0.40
▸ ALOX5 P09917 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ AGER Q15109 1/20 0.39
▸ PSIP1 O75475 1/20 0.39
▸ MMP1 P03956 3/20 0.39
▸ MMP7 P09237 3/20 0.39
▸ MMP12 P39900 3/20 0.39
▸ MMP13 P45452 3/20 0.39
▸ ACE P12821 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL25526293 0.92 TDP1 (0.51) TDP1CCR5ESR1NR1I2SMN1; SMN2
SCHEMBL25519385 0.77 TDP1 (0.46) TDP1CCR5ESR1NR1I2PTGES
SCHEMBL600070 0.76 ADAMTS5 (0.51) TDP1CCR5ESR1NR1I2PTGES
SCHEMBL8356647 0.76 TDP1 (0.62) TDP1CCR5ESR1NR1I2PTGES
SCHEMBL4663012 0.76 TDP1 (0.62) TDP1CCR5ESR1NR1I2PTGES
SCHEMBL25520498 0.76 SMN1; SMN2 (0.50) TDP1CCR5ESR1SMN1; SMN2PSIP1
SCHEMBL534939 0.74 TDP1 (0.51) TDP1CCR5ESR1NR1I2PTGES
SCHEMBL18763131 0.73 TDP1 (0.64) TDP1ESR1NR1I2PTGESALOX5
SCHEMBL8349234 0.73 TDP1 (0.64) TDP1ESR1NR1I2PTGESALOX5
SCHEMBL579010 0.73 TDP1 (0.64) TDP1ESR1NR1I2PTGESALOX5

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 TDP1 1384/4885CCR5 4784/4885ESR1 4518/4885

“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.

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