SCHEMBL1594894

SCHEMBL1594894

CC(C)(C)C1(CO)C(c2ccccc2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 12/20 0.40
KDM1A O60341 1/20 0.38
TMEM97 Q5BJF2 2/20 0.37
HTR2B P41595 1/20 0.37
ABCB1 P08183 1/20 0.36
CHRM1 P11229 1/20 0.35
POLB P06746 1/20 0.35
HRH3 Q9Y5N1 1/20 0.33
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL4477979 0.75
SCHEMBL653779 0.75
SCHEMBL23459249 0.68 FKBP1A (0.38)
SCHEMBL142418 0.67 STAT3 (0.32)
SCHEMBL9960913 0.65 ALDH1A1 (0.37)
SCHEMBL13853718 0.65 TMEM97 (0.39) RIPK1KDM1ATMEM97HTR2BCHRM1
SCHEMBL142914 0.64 DRD2 (0.36)
SCHEMBL17979237 0.64 SLC18A3 (0.39) RIPK1KDM1ACHRM1POLBSLC18A3
SCHEMBL10485404 0.64 KDM1A (0.42) KDM1ATMEM97HTR2BABCB1CHRM1
SCHEMBL23124093 0.64 TRPA1 (0.46) POLBHRH3SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed
EP-2167504-A2 THIADIAZOLE MODULATORS OF PKB Amgen, Inc (US) 2010-03-31 EP disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 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-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR RIPK1 788/4885KDM1A 4110/4885TMEM97 930/4885

“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.