SCHEMBL181587

SCHEMBL181587

CC(C)(C(=O)O)c1cc(F)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
APP P05067 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAPT P10636 2/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP4 P27487 1/20 0.34
KEAP1 Q14145 1/20 0.34
KCNN4 O15554 1/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
RBP4 P02753 1/20 0.33
EPHX1 P07099 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL19926591 0.86 PKM (0.39) PKMFFAR1FFAR4MAPTMEN1
SCHEMBL1345677 0.86 PKM (0.42) PKMAPPMAPTAKR1C3AKR1C2
SCHEMBL25262844 0.81 CES2 (0.44) APPAKR1C3AKR1C2MEN1KMT2A
SCHEMBL25370828 0.81 PTGDR2 (0.45) PKMMEN1LMNAKMT2ACES2
SCHEMBL181881 0.81 NOTUM (0.39) PKMMAPTMEN1LMNAKMT2A
SCHEMBL3132647 0.79 APP (0.47) APPMAPTMEN1LMNAKMT2A
SCHEMBL30501769 0.78 KCNN4 (0.50) APPAKR1C3AKR1C2KCNN4CES2
SCHEMBL2791382 0.78 KCNN4 (0.50) APPAKR1C3AKR1C2KCNN4CES2
SCHEMBL29519425 0.77 MEN1 (0.39) PKMMEN1KMT2A
SCHEMBL10322751 0.77 MEN1 (0.39) PKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401268-B1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC (JP) 2015-07-29 EP disclosed
US-8697877-B2 Oxyindole derivatives with motilin receptor agonistic activity RAQUALIA PHARMA INC. (JP) 2014-04-15 US disclosed
CN-102317280-A Oxindole derivatives with motilin receptor agonistic activity RAQUALIA PHARMA INC 2012-01-11 CN disclosed
EP-2401268-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RaQualia Pharma Inc (JP) 2012-01-04 EP disclosed
US-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-12-22 US disclosed
WO-2010098145-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2010-09-02 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-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY GPR68, GPR88, GPR52 PKM 3849/4885APP 4544/4885FFAR1 40/4885

“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.