Sugi Predict

Sugi Predict / Compounds / SCHEMBL15601987

SCHEMBL15601987

SCHEMBL15601987

COc1ccc(CN2C(=O)CS(=O)(=O)C[C@@]2(C)c2cc(Br)ccc2F)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ APLNR P35414 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL15601984 0.87 TSHR (0.40) TSHRKDM4ELMNAPOLBTACR1
SCHEMBL15548089 0.83 TSHR (0.37) TSHRKDM4ELMNAPOLBTACR1
SCHEMBL15602004 0.83 BACE1 (0.44) TSHRKDM4ELMNAPOLBALDH1A1
SCHEMBL16713723 0.83 TSHR (0.37) TSHRKDM4ELMNAPOLBTACR1
SCHEMBL16713706 0.83 BACE1 (0.44) TSHRKDM4ELMNAPOLBALDH1A1
SCHEMBL15536633 0.82 TSHR (0.40) TSHRKDM4ELMNAPOLBTACR1
SCHEMBL15536629 0.82 TSHR (0.40) TSHRKDM4ELMNAPOLBTACR1
SCHEMBL15602075 0.82 ALDH1A1 (0.40) TSHRKDM4ELMNAPOLBALDH1A1
SCHEMBL15536665 0.80 TSHR (0.40) TSHRKDM4ELMNAPOLBTACR1
SCHEMBL15536666 0.80 TSHR (0.40) TSHRKDM4ELMNAPOLBTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855469-B1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-06-19 — — EP disclosed
EP-2855469-B1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-06-19 — — EP disclosed
US-9273042-B2 5-amino[1,4]thiazines as BACE 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-03-01 — — US disclosed
US-9273042-B2 5-amino[1,4]thiazines as BACE 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-03-01 — — US disclosed
US-9273042-B2 5-amino[1,4]thiazines as BACE 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-03-01 — — US disclosed
US-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-21 — — US disclosed
US-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-21 — — US disclosed
US-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-21 — — US disclosed
WO-2013174781-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-11-28 — — WO 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 (1 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-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS BACE1, BACE2, PSEN1 TSHR 4368/4885KDM4E 2171/4885LMNA 2749/4885

“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.