SCHEMBL1491205

SCHEMBL1491205

O=[N+]([O-])c1cncc(S(=O)(=O)Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ CA2 P00918 3/20 0.40
▸ CA5A P35218 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ F2 P00734 2/20 0.37
▸ PRSS1 P07477 2/20 0.37
▸ PRSS2 P07478 2/20 0.37
▸ PRSS3 P35030 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA13 Q8N1Q1 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL11641321 0.81 CA2 (0.56) KMT2AHTTGAACA2CA5A
SCHEMBL11638120 0.81 GAA (0.42) KMT2AHTTGAACA2CA5A
SCHEMBL5700398 0.81 PTGS2 (0.42) KMT2AHTTGAACA2CA5A
SCHEMBL12757790 0.81 HTT (0.39) KMT2AHTTGAACA2CA5A
SCHEMBL2214769 0.78 CYP19A1 (0.52) KMT2AHTTGAACA2CA5A
SCHEMBL816810 0.78 HTT (0.48) KMT2AHTTGAACA2CA5A
SCHEMBL11641375 0.77 ALDH1A1 (0.50) KMT2AHTTGAACA2CA5A
SCHEMBL5252228 0.77 CYP19A1 (0.55) HTTALDH1A1LMNA
SCHEMBL17673 0.76 CA2 (0.61) CA2CA5AALDH1A1F2PRSS1
Hydrochloric Acid SCHEMBL7567770 0.74 CA2 (0.59) CA2CA5AALDH1A1F2PRSS1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897635-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-03-01 — — US disclosed
US-20070082883-A1 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-12 — — US disclosed
US-7157489-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-01-02 — — US disclosed
EP-1485387-A1 CARBAMATES AS HIV PROTEASE INHIBITORS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2004-12-15 — — EP disclosed
US-20040039016-A1 HIV protease inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-26 — — US disclosed
WO-2003078438-A1 CARBAMATES AS HIV PROTEASE INHIBITORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2003-09-25 — — WO 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-20070082883-A1 HIV protease inhibitors SERPINB1, TMPRSS15, DNPEP KMT2A 3671/4885HTT 4098/4885GAA 69/4885
US-20040039016-A1 HIV protease inhibitors SERPINB1, TMPRSS15, DNPEP KMT2A 3671/4885HTT 4098/4885GAA 69/4885

“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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