SCHEMBL16637166

SCHEMBL16637166

CCNC(=O)c1ncsc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
HSD17B13 Q7Z5P4 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
THPO P40225 1/20 0.34
PDK2 Q15119 2/20 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
SCHEMBL7983978 0.82 CFTR (0.40) HDAC4HDAC6
SCHEMBL27715188 0.79 PKM (0.31)
SCHEMBL5114983 0.76 ALDH1A1 (0.34)
SCHEMBL16637048 0.76 NPSR1 (0.41)
SCHEMBL15313327 0.75 HDAC4 (0.41) HDAC4HDAC6HDAC1HSD17B13CYP1A2
SCHEMBL5117622 0.74 KDM4E (0.46)
SCHEMBL23354458 0.74 ALDH1A1 (0.33) HSD17B13
SCHEMBL23366909 0.72 CYP1A2 (0.32) CYP1A2CYP3A4THPO
SCHEMBL16636256 0.72 HDAC4 (0.44) HDAC4HDAC6HDAC1
Hydrochloric Acid SCHEMBL23354097 0.71 LMNA (0.33) CYP1A2CYP3A4THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
EP-3415519-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2018-12-19 EP disclosed
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-08-30 US disclosed
EP-3055315-B1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2018-07-25 EP disclosed
EP-3055315-B1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2018-07-25 EP disclosed
US-9988400-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2018-06-05 US disclosed
US-9988400-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2018-06-05 US disclosed
EP-3055315-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-04 US disclosed
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-04 US disclosed
CN-105612162-A Thiazolopyrimidinones as modulators of NMDA receptor activity HOFFMANN LA ROCHE 2016-05-25 CN disclosed
WO-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed
WO-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 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 (3 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-10647731-B2 Thiazolopyrimidinones and methods of use thereof TPMT, THPO, CYP11B2 HDAC4 555/4885HDAC6 160/4885HDAC1 982/4885
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 HDAC4 555/4885HDAC6 160/4885HDAC1 982/4885
US-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 HDAC4 555/4885HDAC6 160/4885HDAC1 982/4885

“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.