SCHEMBL7459208

SCHEMBL7459208

CC(C)[C@@H](NC[C@H](O)[CH]Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
KCNH2 Q12809 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MMP2 P08253 4/20 0.37
MMP9 P14780 4/20 0.37
MMP7 P09237 3/20 0.37
MMP13 P45452 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MMP1 P03956 2/20 0.37
MMP3 P08254 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TP53 P04637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MMP8 P22894 3/20 0.35
MMP14 P50281 3/20 0.35
KMT2A Q03164 1/20 0.34
ADAMTS4 O75173 1/20 0.34

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
SCHEMBL7453483 0.92 ALDH1A1 (0.38) POLBMMP2MMP9MMP7MMP13
SCHEMBL2582026 0.90 ESR1 (0.36) HTR2AKCNH2MMP2MMP9MMP7
SCHEMBL8024734 0.89 PRMT1 (0.37) MMP2MMP9MMP7MMP13ALDH1A1
SCHEMBL7453537 0.89 PRMT1 (0.37) MMP2MMP9MMP7MMP13ALDH1A1
SCHEMBL13673910 0.87 MMP2 (0.43) MMP2MMP9MMP7MMP13ALDH1A1
SCHEMBL2576895 0.87 MMP1 (0.47) POLBMMP2MMP9MMP13ALDH1A1
SCHEMBL2585365 0.86 KMT2A (0.42) MMP2MMP9MMP7MMP13ALDH1A1
SCHEMBL7453235 0.81 PRMT1 (0.40) POLBALDH1A1CA1CA2LMNA
SCHEMBL2578162 0.80 CYP19A1 (0.42) MMP2MMP9MMP13ALDH1A1MMP1
SCHEMBL13673882 0.78 RIPK1 (0.38) POLBALDH1A1KDM4EKMT2A

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-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors VAZQUEZ MICHAEL L (US) 2002-05-02 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-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP POLB 750/4885HTR2A 2170/4885HTR2C 3172/4885

“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.