SCHEMBL3287381

SCHEMBL3287381

COc1cccc([C@H]2[C@H](C(=O)O)C2(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.67
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TSHR P16473 2/20 0.43
HSD11B1 P28845 1/20 0.43
LMNA P02545 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
PARP1 P09874 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL3658497 1.00 SLC9A1 (0.67) SLC9A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3287370 1.00 SLC9A1 (0.67) SLC9A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3287364 1.00 SLC9A1 (0.67) SLC9A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3288083 0.82 TSHR (0.60) SLC9A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3288096 0.82 TSHR (0.60) SLC9A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3288086 0.82 TSHR (0.60) SLC9A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6317044 0.81 EDNRA (0.47) SLC9A1KMT2AKDM4EALDH1A1GAA
SCHEMBL6317160 0.81 EDNRA (0.47) SLC9A1KMT2AKDM4EALDH1A1GAA
SCHEMBL6317175 0.81 EDNRA (0.47) SLC9A1KMT2AKDM4EALDH1A1GAA
SCHEMBL15442580 0.80 SLC9A1 (0.46) SLC9A1MEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207540-B1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2014-02-26 EP disclosed
EP-2207540-B1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2014-02-26 EP disclosed
EP-2207540-A1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-21 EP disclosed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US disclosed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US disclosed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US disclosed
US-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US disclosed
US-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US disclosed
US-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US disclosed
WO-2009043784-A1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 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-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof AR, ADRA2A, ADRA1A SLC9A1 3094/4885MEN1 2297/4885KMT2A 2189/4885

“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.