SCHEMBL3550205

SCHEMBL3550205

CCOC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c2c(c1Br)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMPD3 Q01432 1/20 0.40
ACHE P22303 4/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.34
CNR2 P34972 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
HTR5A P47898 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34

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
SCHEMBL14286158 0.86 ACHE (0.36) ACHEKDM4EALDH1A1MAPTCNR2
SCHEMBL17874447 0.80 ADORA1 (0.41) KDM4ETSHRMAPTNPC1RAB9A
SCHEMBL9080409 0.80 TSHR (0.43) KDM4ETSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL8201115 0.80 KDM4E (0.47) KDM4ETSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL3552508 0.78 NPC1 (0.39) AMPD3KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL18584530 0.77 ACHE (0.43) ACHEKDM4E
SCHEMBL14988201 0.76 KDM4E (0.42) ACHEKDM4ETSHRALDH1A1SMN1; SMN2
SCHEMBL13318319 0.75 CA12 (0.45) AMPD3ACHEKDM4ETSHRALDH1A1
SCHEMBL9081244 0.74 ALDH1A1 (0.38) KDM4ETSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL14499344 0.74 ACHE (0.47) ACHEKDM4EALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431748-B2 Low protonation constant hydroxy acids BWE I MALMO AB (SE) 2013-04-30 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-20090155481-A1 LOW PROTONATION CONSTANT HYDROXY ACIDS BW RESINS AB (SE) 2009-06-18 US disclosed
EP-2061760-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2009-05-27 EP disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 WO disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 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 (3 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-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 AMPD3 2767/4885ACHE 1562/4885KDM4E 1999/4885
US-20090155481-A1 LOW PROTONATION CONSTANT HYDROXY ACIDS CD44, HRH3, HRH2 AMPD3 4085/4885ACHE 3719/4885KDM4E 1168/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC AMPD3 2630/4885ACHE 1322/4885KDM4E 1836/4885

“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.