SCHEMBL15816596

SCHEMBL15816596

C[C@@H](N[S+]([O-])C(C)(C)C)C1CCC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31
CA9 Q16790 2/20 0.31

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
SCHEMBL17606328 1.00 CA12 (0.31) CA12CA1CA2MMP2CA9
SCHEMBL30268847 1.00 CA12 (0.31) CA12CA1CA2MMP2CA9
SCHEMBL17605558 1.00 CA12 (0.31) CA12CA1CA2MMP2CA9
SCHEMBL17168952 1.00 CA12 (0.31) CA12CA1CA2MMP2CA9
SCHEMBL17606329 1.00 CA12 (0.31) CA12CA1CA2MMP2CA9
SCHEMBL15816597 1.00 CA12 (0.31) CA12CA1CA2MMP2CA9
SCHEMBL30238647 0.96 CA12 (0.34) CA12CA1CA2MMP2CA9
SCHEMBL30268841 0.96 CA12 (0.34) CA12CA1CA2MMP2CA9
SCHEMBL15663044 0.96 CA12 (0.34) CA12CA1CA2MMP2CA9
SCHEMBL15663045 0.96 CA12 (0.34) CA12CA1CA2MMP2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935263-B1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2018-12-05 EP disclosed
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
EP-2951180-B1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
EP-2934535-B1 SUBSTITUTED PYRROLOPYRIMIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2017-07-19 EP disclosed
US-9682978-B2 2,6,7 substituted purines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-06-20 US disclosed
US-9637493-B2 Substituted pyrrolopyrimidines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-02 US disclosed
US-9540377-B2 2,6,7,8 substituted purines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-10 US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 WO disclosed
EP-2935263-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
EP-2934535-A2 SUBSTITUTED PYRROLOPYRIMIDINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
US-8962611-B2 Substituted imidazopyridines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-24 US disclosed
US-20140357618-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME LLC 2014-12-04 US disclosed
US-8846657-B2 Substituted imidazopyridines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 US disclosed
WO-2014123882-A1 2,6,7 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-14 WO disclosed
WO-2014120748-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 WO disclosed
WO-2014100071-A2 SUBSTITUTED PYRROLOPYRIMIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
WO-2014100065-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
US-20140179680-A1 Substituted Imidazopyridines as HDM2 Inhibitors MERCK SHARP & DOHME LLC 2014-06-26 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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 CA12 2687/4885CA1 2138/4885CA2 2250/4885
US-20140179680-A1 Substituted Imidazopyridines as HDM2 Inhibitors DDX21, ING2, MDM2 CA12 3301/4885CA1 2889/4885CA2 1792/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A CA12 2610/4885CA1 2016/4885CA2 2193/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 CA12 2687/4885CA1 2138/4885CA2 2250/4885
US-20140357618-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS DDX21, ING2, MDM2 CA12 3301/4885CA1 2889/4885CA2 1792/4885

“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.