SCHEMBL17009102

SCHEMBL17009102

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
HPGD P15428 1/20 0.46
F2RL1 P55085 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
FPR2 P25090 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP4A11 Q02928 2/20 0.44
CYP4F2 P78329 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL1858237 0.88 IDO1 (0.55) IDO1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL13979616 0.84 F2RL1 (0.68) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL17593254 0.83 IDO1 (0.53) IDO1HPGDCYP11B1CYP11B2TDP1
SCHEMBL1377057 0.82 PLAAT3 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4TDP1
SCHEMBL28142573 0.81 PLAAT3 (0.54) IDO1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL516422 0.81 IDO1 (0.65) IDO1HPGDF2RL1CYP11B1CYP11B2
SCHEMBL7960432 0.80 L3MBTL1 (0.53) HPGDCYP4A11CYP4F2L3MBTL1MEN1
Hydrochloric Acid SCHEMBL16062033 0.80 IDO1 (0.63) IDO1HPGDF2RL1CYP11B1CYP11B2
SCHEMBL27431284 0.79 MAPT (0.56) PLAAT3PLAAT5PLAAT2PLAAT4ALOX5
SCHEMBL22921868 0.79 TSHR (0.58) F2RL1CYP4A11CYP4F2KMT2AALOX5

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 IDO1 1073/4885PLAAT3 157/4885PLAAT5 265/4885
US-20180079745-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF PPARA, PPARG, PPARD IDO1 736/4885PLAAT3 298/4885PLAAT5 539/4885

“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.