SCHEMBL13265727

SCHEMBL13265727

Cc1c(O)cccc1NS(=O)(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 1/20 0.48
▸ DDX3X O00571 1/20 0.46
▸ TBXA2R P21731 1/20 0.42
▸ PKM P14618 1/20 0.40
▸ NFKBIA P25963 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ MAPT P10636 6/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ HTT P42858 3/20 0.39
▸ SLC5A1 P13866 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CYTH2 Q99418 1/20 0.38

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
SCHEMBL13265928 0.81 DDX3X (0.57) DDX3XNFKBIARELAMAPTSMN1; SMN2
SCHEMBL13265730 0.81 ALDH1A1 (0.51) GUSBMAPTLMNAMEN1KMT2A
SCHEMBL13265978 0.79 DDX3X (0.46) DDX3XTBXA2RNFKBIARELAMAPT
SCHEMBL27290714 0.79 MAPT (0.51) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13240458 0.78 CA2 (0.61) GUSBTBXA2RPKMMAPTSMN1; SMN2
SCHEMBL13265847 0.74 ALDH1A1 (0.51) GUSBPKMMAPTSMN1; SMN2LMNA
SCHEMBL13265731 0.74 MEN1 (0.49) PKMMAPTSMN1; SMN2LMNAMEN1
SCHEMBL13265719 0.73 HPGD (0.46) GUSBMAPTLMNAMEN1KMT2A
SCHEMBL13265862 0.72 ALPL (0.56) GUSBPKMMAPTSMN1; SMN2LMNA
SCHEMBL14537875 0.70 DDX3X (0.57) DDX3XNFKBIARELAMAPTMEN1

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 GUSB 3771/4885DDX3X 322/4885TBXA2R 4415/4885

“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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