SCHEMBL13265730

SCHEMBL13265730

COc1ccccc1NS(=O)(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ GUSB P08236 1/20 0.50
▸ AMY1A P0DUB6 1/20 0.49
▸ POLB P06746 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TNNI3 P19429 1/20 0.46
▸ TNNT2 P45379 1/20 0.46
▸ TNNC1 P63316 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TLR9 Q9NR96 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL13265719 0.90 HPGD (0.46) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL13265718 0.84 GAA (0.53) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL13265731 0.82 MEN1 (0.49) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL2239360 0.81 HPGD (0.74) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL13265815 0.81 AMY1A (0.54) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL13265867 0.81 ALDH1A1 (0.60) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL13265727 0.81 GUSB (0.48) ALDH1A1HPGDMEN1KMT2AGUSB
SCHEMBL13240458 0.80 CA2 (0.61) HPGDL3MBTL1MEN1KMT2AGUSB
SCHEMBL31683914 0.79 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL8865855 0.79 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 — — US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — 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-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 ALDH1A1 4359/4885HPGD 3668/4885L3MBTL1 1667/4885

“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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