SCHEMBL1725857

SCHEMBL1725857

Cc1cc(C2CC2)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.53
NOTUM Q6P988 1/20 0.49
MAPT P10636 1/20 0.46
DHODH Q02127 4/20 0.45
RXRB P28702 2/20 0.42
SMURF2 Q9HAU4 1/20 0.42
SMURF1 Q9HCE7 1/20 0.42
RXRA P19793 1/20 0.41
KMO O15229 1/20 0.41
S1PR1 P21453 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MYC P01106 1/20 0.40
IKBKE Q14164 1/20 0.39

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
SCHEMBL20503247 0.93 ACMSD (0.58) ACMSDNOTUMDHODHRXRBKMO
SCHEMBL13544502 0.93 ACMSD (0.63) ACMSDNOTUMDHODHKMOS1PR1
SCHEMBL20503312 0.91 ACMSD (0.64) ACMSDNOTUMDHODHKMOS1PR1
SCHEMBL5251234 0.91 ACMSD (0.64) ACMSDNOTUMDHODHKMOS1PR1
SCHEMBL63893 0.87 QDPR (0.54) ACMSDNOTUMMYC
SCHEMBL11798557 0.87 ACMSD (0.42) ACMSDNOTUMMAPTDHODHKDM4E
SCHEMBL17067813 0.85 ACMSD (0.57) ACMSDNOTUMMAPTDHODHSMURF2
SCHEMBL1725124 0.84 ACMSD (0.40) ACMSDNOTUMMAPTDHODHSMURF2
SCHEMBL26019652 0.81 SSTR4 (0.39) ACMSDNOTUMMAPTDHODHRXRB
SCHEMBL1726032 0.81 KDM4E (0.46) MAPTKDM4EGLAHTTSMN1; SMN2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 EP disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 CN disclosed
US-10570118-B2 Isoquinolones as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-25 US disclosed
CN-106061963-B Heterocyclic modulators of lipid synthesis and combinations thereof 3-V生物科学股份有限公司 2019-10-22 CN disclosed
US-20190023686-A1 ISOQUINOLONES AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-24 US disclosed
CN-108884058-A MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS 阿奇克斯制药公司 2018-11-23 CN disclosed
US-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS WUXI APPTEC CO., LTD (CN) 2018-11-15 US disclosed
EP-3377473-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2018-09-26 EP disclosed
WO-2017123695-A1 ISOQUINOLONES AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-07-20 WO disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
EP-1863757-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-12-12 EP disclosed
WO-2006099410-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-21 WO disclosed
US-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-09-14 US 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 (7 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-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 ACMSD 1050/4885NOTUM 2470/4885MAPT 3268/4885
US-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC ACMSD 1484/4885NOTUM 2666/4885MAPT 4006/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 ACMSD 1050/4885NOTUM 2470/4885MAPT 3268/4885
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC ACMSD 1484/4885NOTUM 2666/4885MAPT 4006/4885
US-10570118-B2 Isoquinolones as BTK inhibitors BTK, SYK, LYN ACMSD 4710/4885NOTUM 2804/4885MAPT 4177/4885
US-20190023686-A1 ISOQUINOLONES AS BTK INHIBITORS BTK, SYK, LYN ACMSD 4710/4885NOTUM 2804/4885MAPT 4177/4885
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 ACMSD 1050/4885NOTUM 2470/4885MAPT 3268/4885

“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.