SCHEMBL2980229

SCHEMBL2980229

C=CCOc1cc(C(=O)O)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 3/20 0.49
TTR P02766 3/20 0.47
ALB P02768 1/20 0.47
RAB9A P51151 4/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.44
FFAR1 O14842 1/20 0.43
PTGER1 P34995 1/20 0.43
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL18374475 0.86 KDM4E (0.51) TSHRGAAKDM4ETTRALB
SCHEMBL15312851 0.85 KDM4E (0.60) TSHRGAAKDM4ERAB9AHTT
SCHEMBL2524549 0.85 KDM4E (0.47) TSHRGAAKDM4ETTRMAPK1
SCHEMBL2533462 0.84 KDM4E (0.52) TSHRGAAKDM4ETTRALDH1A1
SCHEMBL7635214 0.83 TSHR (0.57) TSHRGAAKDM4ERAB9AHTT
SCHEMBL1340275 0.81 HSD17B2 (0.52) TSHRGAAKDM4ETTRRAB9A
SCHEMBL8786560 0.81 KDM4E (0.49) TSHRGAAKDM4ERAB9AHTT
SCHEMBL6422020 0.81 KDM4E (0.52) TSHRGAAKDM4ERAB9AHTT
SCHEMBL14907128 0.80 KDM4E (0.74) TSHRGAAKDM4ETTRRAB9A
SCHEMBL31737057 0.80 KDM4E (0.74) TSHRGAAKDM4ETTRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772223-B2 5-Methyl-5-(3-phenoxyazetidin-1-yl)-2,2-diphenylhexanamide, used for the treatment of respiratory system disorders such as asthma, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis and emphysema PFIZER INC. (US) 2010-08-10 US disclosed
EP-1928821-A1 CARBOXAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-06-11 EP disclosed
US-20070105831-A1 Carboxamide derivatives as muscarinic receptor antagonists PFIZER LIMITED 2007-05-10 US disclosed
WO-2007034325-A1 CARBOXAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2007-03-29 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-20070105831-A1 Carboxamide derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 TSHR 104/4885GAA 3248/4885KDM4E 2040/4885

“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.