SCHEMBL336576

SCHEMBL336576

CC(C)(C)OC(=O)NC(CC(=O)O)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.45
CTSK P43235 4/20 0.45
EPHX1 P07099 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
BTK Q06187 1/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CYP2D6 P10635 1/20 0.39
CACNA1B Q00975 3/20 0.38
ALDH1A1 P00352 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL16689350 1.00 CTSS (0.45) CTSSCTSKEPHX1HDAC4HDAC1
SCHEMBL1853356 0.98 CTSS (0.47) CTSSCTSKEPHX1HDAC4HDAC1
SCHEMBL16681191 0.98 CTSS (0.47) CTSSCTSKEPHX1HDAC4HDAC1
SCHEMBL6690998 0.98 CTSS (0.47) CTSSCTSKEPHX1HDAC4HDAC1
SCHEMBL335784 0.97 BTK (0.46) CTSSCTSKEPHX1HDAC4HDAC1
SCHEMBL16540611 0.94 CTSK (0.44) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL17938534 0.94 CTSK (0.44) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL1200716 0.94 CTSK (0.44) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL28860830 0.88 CYP2D6 (0.49) CTSSCTSKEPHX1HDAC4HDAC1
SCHEMBL1914475 0.87 CTSK (0.40) CTSSCTSKBTKKMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078410-A1 COMPOUND HAVING ACTIVITY OF DEGRADING GSPT1 AND APPLICATION THEREOF 上海美志医药科技有限公司 2023-05-11 WO disclosed
CN-104662015-A Complement pathway modulators and uses thereof NOVARTIS AG 2015-05-27 CN disclosed
US-8222404-B2 [1,2,4]Thiadiazin-3-yl acetic acid compound and methods of making the acetic acid compound ANADYS PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ANADYS PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-8097613-B2 [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
WO-2009152166-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
WO-2004089362-A1 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-10-21 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 (2 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-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ACMSD, ACACA, ALDH1A1 CTSS 2785/4885CTSK 3275/4885EPHX1 2748/4885
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS CYP2E1, CYP1A1, CYP1B1 CTSS 3605/4885CTSK 4106/4885EPHX1 1240/4885

“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.