SCHEMBL5981885

SCHEMBL5981885

[CH2]c1cccc(N[C@H](C(C)C)S(=O)(=O)c2ccc(O)cc2)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.34
ESR1 P03372 1/20 0.34
ENPP2 Q13822 1/20 0.33
ESR2 Q92731 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31
TUBB2B Q9BVA1 1/20 0.31
TUBB1 Q9H4B7 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL5981677 0.90 MMP1 (0.34) CA1CA2
SCHEMBL8371096 0.90 ALDH1A1 (0.36) CA12CA1CA2CA9
SCHEMBL8371020 0.87 MMP2 (0.38) LMNACA12CA1CA2CA9
SCHEMBL7454609 0.82 GABRA1 (0.34) ADAMTS4ESR1ESR2CA12CA1
SCHEMBL7244254 0.81 DDX3X (0.46) HTTCA12CA1CA2CA9
SCHEMBL8373026 0.81 GLO1 (0.39) LMNA
SCHEMBL8370885 0.72 ACR (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2646217 0.64 ENPP2 (0.56) ADAMTS4ESR1ENPP2ESR2LMNA
SCHEMBL3751933 0.62 ESR1 (0.51) ADAMTS4ESR1ENPP2ESR2LMNA
SCHEMBL7450627 0.62 RORC (0.46) ESR1

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 3 patents. 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 claimed
US-7141609-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-11-28 US disclosed
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-12-01 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 (2 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 ADAMTS4 1917/4885ESR1 1312/4885ENPP2 2431/4885
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP ADAMTS4 1883/4885ESR1 1279/4885ENPP2 2268/4885

“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.