SCHEMBL12060447

SCHEMBL12060447

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

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.75
▸ CA1 P00915 15/20 0.75
▸ CA2 P00918 15/20 0.75
▸ CA12 O43570 6/20 0.71
▸ USP2 O75604 2/20 0.70
▸ L3MBTL1 Q9Y468 1/20 0.70
▸ CA14 Q9ULX7 2/20 0.67
▸ CA7 P43166 2/20 0.65
▸ MEN1 O00255 1/20 0.59
▸ ALPL P05186 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ ALPI P09923 1/20 0.59
▸ ALPG P10696 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ ADRA1D P25100 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ ADRA1B P35368 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
SCHEMBL12231957 0.92 CA9 (0.72) CA9CA1CA2CA12USP2
SCHEMBL15828111 0.92 CA9 (0.83) CA9CA1CA2CA12USP2
SCHEMBL13971293 0.92 USP2 (0.72) CA9CA1CA2CA12USP2
SCHEMBL412012 0.90 CA9 (0.78) CA9CA1CA2CA12USP2
SCHEMBL29699213 0.90 CA9 (0.78) CA9CA1CA2CA12USP2
SCHEMBL19954964 0.90 CA9 (0.72) CA9CA1CA2CA12USP2
SCHEMBL2234764 0.90 CA9 (0.83) CA9CA1CA2CA12USP2
SCHEMBL13097493 0.89 CA9 (0.75) CA9CA1CA2CA12USP2
SCHEMBL15355564 0.88 USP2 (0.75) CA9CA1CA2CA12USP2
SCHEMBL14073670 0.88 CA9 (0.69) CA9CA1CA2CA12USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995110-B2 Trehalose analogues CENTRAL MICHIGAN UNIVERSITY (US) 2021-05-04 — — US disclosed
US-20200115408-A1 TREHALOSE ANALOGUES CENTRAL MICHIGAN UNIVERSITY 2020-04-16 — — US disclosed
US-20200054676-A1 Targeted Ligand-Payload Based Drug Delivery for Cell Therapy PURDUE RESEARCH FOUNDATION 2020-02-20 — — US disclosed
US-20170252460-A1 FUNCTIONALIZING NANOFIBRES BOVIN NICOLAI (RU) 2017-09-07 — — US disclosed
EP-2391714-B1 METHODS FOR LIGATION AND USES THEREOF WHITEHEAD INST BIOMEDICAL RES (US) 2017-04-05 — — EP disclosed
US-8940501-B2 Methods for ligation and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-01-27 — — US disclosed
US-8513023-B2 Prognostic method NORGINE BV (NL) 2013-08-20 — — US disclosed
US-20110321183-A1 METHODS FOR LIGATION AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2011-12-29 — — US disclosed
WO-2009132310-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-10-29 — — WO disclosed
WO-2008022355-A2 METHODS AND REAGENTS FOR DETECTING PHOSPHOMONOESTER GROUPS PERKINELMER LAS, INC. (US) 2008-02-21 — — WO disclosed
US-20070221884-A1 Liminescent Silicon Oxide Flakes CIBA SPECIALTY CHEMICALS CORP. 2007-09-27 — — US disclosed
US-20070048640-A1 Photoreceptor layer having rhodamine additive XEROX CORPORATION (US) 2007-03-01 — — 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 (5 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-20200115408-A1 TREHALOSE ANALOGUES TREH, TALDO1, GALE CA9 1512/4885CA1 2754/4885CA2 3388/4885
US-20170252460-A1 FUNCTIONALIZING NANOFIBRES BTD, ILK, WASF2 CA9 3735/4885CA1 2666/4885CA2 4082/4885
US-10995110-B2 Trehalose analogues TREH, TALDO1, GALE CA9 1512/4885CA1 2754/4885CA2 3388/4885
US-20200054676-A1 Targeted Ligand-Payload Based Drug Delivery for Cell Therapy HAVCR2, BST2, CD74 CA9 4204/4885CA1 3676/4885CA2 4526/4885
US-20110321183-A1 METHODS FOR LIGATION AND USES THEREOF ACOT7, LYPLA1, ACSL3 CA9 1483/4885CA1 2809/4885CA2 3793/4885

“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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