SCHEMBL10328554

SCHEMBL10328554

CCN(Cc1ccc(C)cc1)S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.55
APLNR P35414 1/20 0.53
GAA P10253 1/20 0.51
CNR1 P21554 4/20 0.50
TAS2R14 Q9NYV8 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL10328557 0.85 CNR2 (0.50) CNR2APLNRGAACNR1ALDH1A1
SCHEMBL13064216 0.83 APLNR (0.51) CNR2APLNRGAACNR1ALDH1A1
SCHEMBL14536616 0.83 CNR2 (0.54) CNR2CNR1TAS2R14
SCHEMBL2103432 0.82 SMN1; SMN2 (0.58) CNR2APLNRGAACNR1ALDH1A1
SCHEMBL12863040 0.81 CNR2 (0.74) CNR2CNR1TAS2R14
SCHEMBL15721328 0.80 APLNR (0.83) CNR2APLNRCNR1TAS2R14
SCHEMBL12136891 0.80 GAA (0.51) CNR2APLNRGAATAS2R14ALDH1A1
SCHEMBL10328556 0.78 TAS2R14 (0.60) CNR2APLNRGAACNR1TAS2R14
SCHEMBL10192138 0.76 ALDH1A1 (0.49) CNR2APLNRGAACNR1ALDH1A1
SCHEMBL27522103 0.74 GAA (0.49) CNR2APLNRGAACNR1TAS2R14

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-9687494-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-12-22 US disclosed
US-9475785-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-10-25 US disclosed
US-9428475-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-08-30 US disclosed
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use MERCK SHARP & DOHME CORP. (US) 2015-10-29 US disclosed
US-9029362-B2 Iminothiadiazine dioxide compounds as brace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-8940748-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2015-01-27 US disclosed
US-20140296221-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-10-02 US disclosed
US-20140296222-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-10-02 US disclosed
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-8729071-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 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 (6 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-20140296221-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 CNR2 1575/4885APLNR 2599/4885GAA 991/4885
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP CNR2 1894/4885APLNR 2953/4885GAA 908/4885
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use BACE1, BACE2, APP CNR2 1778/4885APLNR 2972/4885GAA 812/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP CNR2 2030/4885APLNR 2787/4885GAA 879/4885
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP CNR2 1682/4885APLNR 2908/4885GAA 760/4885
US-20140296222-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 CNR2 1575/4885APLNR 2599/4885GAA 991/4885

“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.