SCHEMBL16799587

SCHEMBL16799587

COC(=O)c1cccc(C#CCCCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.46
TSHR P16473 2/20 0.44
MAPT P10636 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
MMP2 P08253 1/20 0.42
MMP12 P39900 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR1 O14842 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
SCHEMBL2763765 0.87 TRPM8 (0.49) CYP1A2CYP2C9CYP2C19MAPTPTPN2
SCHEMBL31753430 0.86 CYP4A11 (0.55) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL16799629 0.86 CYP4A11 (0.55) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL16799666 0.86 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL16799938 0.84 LOXL2 (0.43) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL46616 0.83 CYP4F2 (0.54) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL31753754 0.83 CYP4F2 (0.54) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL24358827 0.83 MAPK1 (0.43) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL20810526 0.83 LOXL2 (0.43) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL16799967 0.82 POLB (0.43) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077369-B1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2019-03-13 EP disclosed
EP-3077369-B1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2019-03-13 EP disclosed
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2018-05-03 US disclosed
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2018-05-03 US disclosed
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2018-05-03 US disclosed
US-9908843-B2 Benzamide derivatives useful in the treatment of muscular disorders and pain and for controlling spasticity and tremors CANBEX THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-9908843-B2 Benzamide derivatives useful in the treatment of muscular disorders and pain and for controlling spasticity and tremors CANBEX THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-9908843-B2 Benzamide derivatives useful in the treatment of muscular disorders and pain and for controlling spasticity and tremors CANBEX THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
EP-3256112-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION Canbex Therapeutics Limited (GB) 2017-12-20 EP disclosed
US-20160304441-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2016-10-20 US disclosed
US-20160304441-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2016-10-20 US disclosed
US-20160304441-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2016-10-20 US disclosed
EP-3077369-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERSAND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS Canbex Therapeutics Limited (GB) 2016-10-12 EP disclosed
WO-2016128771-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2016-08-18 WO disclosed
WO-2016128771-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2016-08-18 WO disclosed
WO-2015082938-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERSAND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS CANBEX THERAPEUTICS LIMITED (GB) 2015-06-11 WO disclosed
WO-2015082938-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERSAND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS CANBEX THERAPEUTICS LIMITED (GB) 2015-06-11 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-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION HCN4, KCNJ4, KCNQ4 ALDH1A1 3891/4885CYP3A4 539/4885CYP1A2 994/4885
US-20160304441-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS MUSK, MYLK2, CBR3 ALDH1A1 3265/4885CYP3A4 346/4885CYP1A2 587/4885

“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.