SCHEMBL13097493

SCHEMBL13097493

CNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 18/20 0.75
▸ CA1 P00915 17/20 0.75
▸ CA2 P00918 17/20 0.75
▸ CA12 O43570 8/20 0.72
▸ CA14 Q9ULX7 4/20 0.68
▸ USP2 O75604 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ CA7 P43166 2/20 0.66

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
SCHEMBL15828111 0.94 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL2234764 0.92 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL23169164 0.91 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL12231697 0.91 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL25341857 0.91 CA9 (0.66) CA9CA1CA2CA12CA14
SCHEMBL412012 0.91 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL29699213 0.91 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL19788026 0.91 CA9 (0.62) CA9CA1CA2CA12CA14
SCHEMBL12231957 0.90 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL19545067 0.90 CA9 (0.67) CA9CA1CA2CA12CA14

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133705-A1 TREHALOSE ANALOGUES CENTRAL MICHIGAN UNIVERSITY 2023-05-04 — — US disclosed
US-11535642-B2 Trehalose analogues CENTRAL MICHIGAN UNIVERSITY (US) 2022-12-27 — — US disclosed
US-10995110-B2 Trehalose analogues CENTRAL MICHIGAN UNIVERSITY (US) 2021-05-04 — — US disclosed
US-10869939-B2 Delivery system in micellar form having modular spectral response based on enzyme-responsive amphiphilic PEG-dendron hybrid polymers RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2020-12-22 — — US disclosed
US-10836720-B2 Inhibitors of integrin alpha 5 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-17 — — US disclosed
US-10759821-B2 Trehalose analogues CENTRAL MICHIGAN UNIVERSITY (US) 2020-09-01 — — US disclosed
US-20200115408-A1 TREHALOSE ANALOGUES CENTRAL MICHIGAN UNIVERSITY 2020-04-16 — — US disclosed
US-20190144386-A1 INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-05-16 — — US disclosed
US-9874562-B2 Zanamivir phosphonate congeners with anti-influenza activity and determining oseltamivir susceptibility of influenza viruses ACADEMIA SINICA (TW) 2018-01-23 — — US disclosed
WO-2017173302-A2 INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-05 — — WO disclosed
US-9119885-B2 RGD-containing peptidomimetics and uses thereof STEBA BIOTECH S.A. (LU) 2015-09-01 — — US disclosed
US-20140154181-A1 RGD-CONTAINING PEPTIDOMIMETICS AND USES THEREOF STEBA BIOTECH S.A. (LU) 2014-06-05 — — US disclosed
US-8318504-B2 MRP2 efflux pathway prognostic method NORGINE BV (NL) 2012-11-27 — — US disclosed
US-20120263649-A1 DETECTION OF MYCOBACTERIA ISIS INNOVATION LIMITED (GB) 2012-10-18 — — US disclosed
US-20100272675-A1 METHOD OF ADMINISTERING CONJUGATES ENDOCYTE, INC. (US) 2010-10-28 — — US disclosed
WO-2010097604-A2 NEW COMPOUNDS UCL BUSINESS PLC (GB) 2010-09-02 — — WO disclosed
US-7544454-B2 Photoreceptor layer having rhodamine additive XEROX CORPORATION (US) 2009-06-09 — — US disclosed
WO-2009027679-A1 PROCESS FOR THE PREPARATION OF GUANIDINO SUBSTITUTED BI-AND POLYPHENYLS THAT ARE SUITABLE AS SMALL MOLECULE CARRIERS UCL BUSINESS PLC (GB) 2009-03-05 — — WO disclosed
US-20080311498-A1 PHOTORECEPTOR LAYER HAVING RHODAMINE ADDITIVE XEROX CORPORATION (US) 2008-12-18 — — US disclosed
US-7427462-B2 Photoreceptor layer having rhodamine additive XEROX CORPORATION (US) 2008-09-23 — — 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 (11 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-20230133705-A1 TREHALOSE ANALOGUES TREH, TALDO1, GALE CA9 1512/4885CA1 2754/4885CA2 3388/4885
US-20200115408-A1 TREHALOSE ANALOGUES TREH, TALDO1, GALE CA9 1512/4885CA1 2754/4885CA2 3388/4885
US-20140154181-A1 RGD-CONTAINING PEPTIDOMIMETICS AND USES THEREOF GRPR, VIP, PROKR1 CA9 968/4885CA1 597/4885CA2 1512/4885
US-10995110-B2 Trehalose analogues TREH, TALDO1, GALE CA9 1512/4885CA1 2754/4885CA2 3388/4885
US-20190144386-A1 INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE ITGA5, ITGB5, ITGB1 CA9 1517/4885CA1 1284/4885CA2 2330/4885
US-20120263649-A1 DETECTION OF MYCOBACTERIA LY96, MICA, CD74 CA9 2871/4885CA1 2576/4885CA2 1447/4885
US-10759821-B2 Trehalose analogues TREH, TALDO1, GALE CA9 1512/4885CA1 2754/4885CA2 3388/4885
US-20100272675-A1 METHOD OF ADMINISTERING CONJUGATES CD47, C3AR1, C5AR1 CA9 2751/4885CA1 1413/4885CA2 3834/4885
US-10836720-B2 Inhibitors of integrin alpha 5 beta 1 and methods of use ITGA5, ITGB5, ITGB1 CA9 1517/4885CA1 1284/4885CA2 2330/4885
US-11535642-B2 Trehalose analogues TREH, TALDO1, GALE CA9 1512/4885CA1 2754/4885CA2 3388/4885
US-10869939-B2 Delivery system in micellar form having modular spectral response based on enzyme-responsive amphiphilic PEG-dendron hybrid polymers JMJD7, HM13, APEH CA9 591/4885CA1 473/4885CA2 2290/4885

“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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