SCHEMBL7212557

SCHEMBL7212557

Cc1cc(C(=O)O)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
PDE2A O00408 1/20 0.51
PDE5A O76074 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
NFKB1 P19838 1/20 0.51
APEX1 P27695 1/20 0.51
PDE4A P27815 1/20 0.51
BLM P54132 1/20 0.51
PDE1B Q01064 1/20 0.51
PMP22 Q01453 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4D Q08499 1/20 0.51
PDE7A Q13946 1/20 0.51
PDE1C Q14123 1/20 0.51
PDE7B Q9NP56 1/20 0.51
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL29451569 0.85 ALDH1A1 (0.48) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL8578530 0.83 MCL1 (0.45) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL7212793 0.82 ALDH1A1 (0.59) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL7212867 0.81 ALDH1A1 (0.55) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL8137115 0.78 TSHR (0.53) ALDH1A1POLBPKMHTTTSHR
SCHEMBL7212546 0.78 ALDH1A1 (0.55) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL7212568 0.78 ALDH1A1 (0.59) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL29451866 0.78 VCAM1 (0.59) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL29451638 0.78 ALDH1A1 (0.59) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL29451520 0.77 ALDH1A1 (0.51) ALDH1A1PDE2APDE5ACYP3A4ALOX15

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
WO-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 WO disclosed
US-6617357-B2 Administering to a patient for inhibiting cyclic nucleotide phosphodiesterases (PDEs) activity, a benzenesulfonamide compound SMITHKLINE BEECHAM CORPORATION 2003-09-09 US disclosed
US-20020156064-A1 Compounds and their use as PDE inhibitors SMITHKLINE BEECHAM CORP 2002-10-24 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-20020156064-A1 Compounds and their use as PDE inhibitors PDE3A, PDE2A, PDE5A ALDH1A1 632/4885PDE2A 2/4885PDE5A 3/4885

“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.