SCHEMBL12010899

SCHEMBL12010899

O=C(NCc1ccccc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.72
▸ TDP1 Q9NUW8 2/20 0.70
▸ CA2 P00918 2/20 0.68
▸ SCN3A Q9NY46 1/20 0.65
▸ LMNA P02545 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ CA12 O43570 1/20 0.60
▸ CA9 Q16790 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HDAC2 Q92769 1/20 0.59
▸ HDAC8 Q9BY41 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ CXCR4 P61073 1/20 0.59
▸ ABL1 P00519 1/20 0.59
▸ LCK P06239 1/20 0.59
▸ LIMK1 P53667 1/20 0.59
▸ LIMK2 P53671 1/20 0.59
▸ NAMPT P43490 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58

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
SCHEMBL12010898 0.89 MAPT (0.80) MAPTTDP1CA2SCN3ALMNA
SCHEMBL12010901 0.88 NPC1 (0.66) MAPTTDP1MEN1KMT2AHDAC2
SCHEMBL12010903 0.88 TDP1 (0.91) TDP1CA2ALDH1A1MEN1KMT2A
SCHEMBL8367726 0.85 TDP1 (0.78) MAPTTDP1CA2SCN3ALMNA
SCHEMBL30254760 0.85 CXCR4 (0.78) MAPTCA2LMNAALDH1A1CA12
SCHEMBL11900090 0.81 HDAC6 (0.85) CA2LMNAHDAC2HDAC8HDAC6
SCHEMBL678390 0.81 CA2 (1.00) CA2LMNAALDH1A1CA12CA9
SCHEMBL12010895 0.80 KMT2A (0.83) MAPTLMNAALDH1A1CA12CA9
SCHEMBL3161304 0.79 SCN3A (1.00) TDP1CA2SCN3AALDH1A1MEN1
SCHEMBL5681681 0.78 HDAC1 (0.64) CA2LMNAALDH1A1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 — — US disclosed
US-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 — — US disclosed
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-02-25 — — US disclosed
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-02-25 — — US disclosed
WO-2009088549-A2 METHODS OF INHIBITING BACTERIAL VIRULENCE AND COMPOUNDS RELATING THERETO THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-07-16 — — 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 (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-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto MMP8, SLC11A2, NFKBIA MAPT 4581/4885TDP1 3826/4885CA2 2063/4885

“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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