SCHEMBL17009151

SCHEMBL17009151

COC(=O)C(C)(C)C(=O)CCCc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
LMNA P02545 2/20 0.40
IDO1 P14902 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FPR2 P25090 1/20 0.39
ALOX5 P09917 1/20 0.39
FAAH O00519 1/20 0.39
HDAC1 Q13547 3/20 0.39
CYP4A11 Q02928 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 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
SCHEMBL17009142 0.85 ALOX5 (0.56) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL1858237 0.78 IDO1 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL17009104 0.77 PPARA (0.53) KMT2AALOX5GLA
SCHEMBL17451869 0.75 POLB (0.44) POLBCTDSP1LMNAIDO1KMT2A
SCHEMBL28290264 0.75 HDAC1 (0.45) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL2146699 0.74 TDP1 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL17009102 0.74 IDO1 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL17593254 0.73 IDO1 (0.53) IDO1KMT2AHDAC1CYP4A11TDP1
SCHEMBL3907853 0.72 PLAAT3 (0.50) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL1377057 0.71 PLAAT3 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079745-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF INCEPTION SCIENCES, INC. 2018-03-22 US disclosed
US-9862708-B2 Pyrazolone compounds and uses thereof TEMPEST THERAPEUTICS, INC. (US) 2018-01-09 US disclosed
US-20170174666-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2017-06-22 US disclosed
EP-3105205-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF Inception 2, Inc. (US) 2016-12-21 EP disclosed
WO-2015123133-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2015-08-20 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-20170174666-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF PPARA, PPARG, PPARD PLAAT3 157/4885PLAAT5 265/4885PLAAT2 458/4885
US-20180079745-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF PPARA, PPARG, PPARD PLAAT3 298/4885PLAAT5 539/4885PLAAT2 820/4885

“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.