SCHEMBL412012

SCHEMBL412012

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

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 18/20 0.78
▸ CA1 P00915 17/20 0.78
▸ CA2 P00918 17/20 0.78
▸ CA12 O43570 8/20 0.74
▸ CA14 Q9ULX7 4/20 0.70
▸ CA7 P43166 2/20 0.68
▸ USP2 O75604 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67

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
SCHEMBL29699213 1.00 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL15828111 0.94 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL2234764 0.92 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL13097493 0.91 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL12060447 0.90 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL23169164 0.89 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL12231697 0.89 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL12231957 0.89 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL19954964 0.89 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL20622624 0.88 CA9 (0.75) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023132337-A1 FLUORESCENT STAINING METHOD 国立大学法人大阪大学 2023-07-13 — — WO disclosed
US-10718028-B2 Fluorescent probes for abasic site detection CASE WESTERN RESERVE UNIVERSITY (US) 2020-07-21 — — US disclosed
EP-3313858-B1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT UNIV GENT (BE) 2019-09-25 — — EP disclosed
US-20180127830-A1 FLUORESCENT PROBES FOR ABASIC SITE DETECTION CASE WESTERN RESERVE UNIVERSITY 2018-05-10 — — US disclosed
US-20160282357-A1 METHODS AND COMPOSITIONS RELATED TO NUCLEIC ACID BINDING ASSAYS Nubad, LLC 2016-09-29 — — US disclosed
US-9410186-B2 Methods and compositions related to nucleic acid binding assays NUBAD LLC (US) 2016-08-09 — — US disclosed
US-9173946-B2 Bifunctional hydroxy-bisphosphonic acid derivatives ATLANTHERA (FR) 2015-11-03 — — US disclosed
US-9173946-B2 Bifunctional hydroxy-bisphosphonic acid derivatives ATLANTHERA (FR) 2015-11-03 — — US disclosed
US-9017943-B2 Methods and compositions related to nucleic acid binding assays NUBAD LLC (US) 2015-04-28 — — US disclosed
US-20140330001-A1 METHODS AND COMPOSITIONS RELATED TO NUCLEIC ACID BINDING ASSAYS Nubad, LLC (US) 2014-11-06 — — US disclosed
US-8716346-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-06 — — US disclosed
US-20140086843-A1 BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES ATLANTHERA (FR) 2014-03-27 — — US disclosed
US-20140086843-A1 BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES ATLANTHERA (FR) 2014-03-27 — — US disclosed
US-20140024137-A1 METHODS AND COMPOSITIONS RELATED TO NUCLEIC ACID BINDING ASSAYS NUBAD LLC 2014-01-23 — — US disclosed
US-8324282-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2012-12-04 — — US disclosed
US-8324282-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2012-12-04 — — US disclosed
WO-2012130911-A1 BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES ATLANTHERA (FR) 2012-10-04 — — WO disclosed
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER GERSON STANTON L (US) 2012-03-15 — — US disclosed
US-7193034-B2 Synthetic peptides, conjugation reagents and methods REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-03-20 — — US disclosed
US-7193034-B2 Synthetic peptides, conjugation reagents and methods REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-03-20 — — 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 (4 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-20140086843-A1 BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES BPGM, PHPT1, PTH1R CA9 151/4885CA1 1156/4885CA2 208/4885
US-10718028-B2 Fluorescent probes for abasic site detection OGG1, UNG, AP2B1 CA9 3240/4885CA1 4084/4885CA2 1997/4885
US-20180127830-A1 FLUORESCENT PROBES FOR ABASIC SITE DETECTION OGG1, UNG, AP2B1 CA9 3240/4885CA1 4084/4885CA2 1997/4885
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNG, TOP2A, OGG1 CA9 758/4885CA1 953/4885CA2 1182/4885

“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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